 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer06_STD_M11_def2SVPD.in
 Output=12_L-valine_conformer06_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-155352.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    155353.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer06_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:39:38 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer06_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.457159000000     -0.146332000000     -0.647837000000
  C                                                 1.109574000000     -0.543619000000     -0.050687000000
  C                                                -0.012989000000      0.384911000000     -0.578811000000
  C                                                -1.363704000000     -0.252903000000     -0.259735000000
  O                                                -2.091645000000      0.444358000000      0.645421000000
  C                                                 1.162885000000     -0.565114000000      1.477637000000
  N                                                 0.173654000000      1.758943000000     -0.144286000000
  O                                                -1.758233000000     -1.282971000000     -0.742079000000
  H                                                 0.050109000000      0.366136000000     -1.669549000000
  H                                                 0.854606000000     -1.547323000000     -0.399183000000
  H                                                -2.909790000000     -0.057734000000      0.787298000000
  H                                                -0.455006000000      2.381115000000     -0.636018000000
  H                                                -0.032228000000      1.857361000000      0.841913000000
  H                                                 1.451195000000      0.409891000000      1.876513000000
  H                                                 0.203705000000     -0.845376000000      1.918080000000
  H                                                 1.905982000000     -1.287391000000      1.818568000000
  H                                                 2.716265000000      0.875135000000     -0.368973000000
  H                                                 3.243945000000     -0.813424000000     -0.290625000000
  H                                                 2.437115000000     -0.203744000000     -1.738160000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:39:39 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.457159   -0.146332   -0.647837
      2          6           0        1.109574   -0.543619   -0.050687
      3          6           0       -0.012989    0.384911   -0.578811
      4          6           0       -1.363704   -0.252903   -0.259735
      5          8           0       -2.091645    0.444358    0.645421
      6          6           0        1.162885   -0.565114    1.477637
      7          7           0        0.173654    1.758943   -0.144286
      8          8           0       -1.758233   -1.282971   -0.742079
      9          1           0        0.050109    0.366136   -1.669549
     10          1           0        0.854606   -1.547323   -0.399183
     11          1           0       -2.909790   -0.057734    0.787298
     12          1           0       -0.455006    2.381115   -0.636018
     13          1           0       -0.032228    1.857361    0.841913
     14          1           0        1.451195    0.409891    1.876513
     15          1           0        0.203705   -0.845376    1.918080
     16          1           0        1.905982   -1.287391    1.818568
     17          1           0        2.716265    0.875135   -0.368973
     18          1           0        3.243945   -0.813424   -0.290625
     19          1           0        2.437115   -0.203744   -1.738160
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526568   0.000000
     3  C    2.527571   1.549590   0.000000
     4  C    3.842001   2.499064   1.527432   0.000000
     5  O    4.765821   3.421764   2.413108   1.354761   0.000000
     6  C    2.523522   1.529405   2.552294   3.082140   3.507646
     7  N    3.016294   2.487267   1.453139   2.534625   2.735571
     8  O    4.366962   3.041214   2.419579   1.203889   2.240532
     9  H    2.664659   2.137951   1.092723   2.090371   3.154729
    10  H    2.143077   1.092648   2.125680   2.572133   3.706533
    11  H    5.556222   4.134440   3.233210   1.877432   0.970354
    12  H    3.856013   3.368173   2.045356   2.811649   2.841074
    13  H    3.525789   2.804488   2.046200   2.727576   2.505271
    14  H    2.773750   2.177151   2.858859   3.595345   3.750799
    15  H    3.485778   2.188081   2.791958   2.747849   2.924330
    16  H    2.772898   2.163695   3.496637   4.010032   4.511790
    17  H    1.090090   2.166939   2.780859   4.234448   4.932602
    18  H    1.091625   2.164695   3.482338   4.641720   5.561180
    19  H    1.092017   2.173809   2.773737   4.078527   5.158601
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.001742   0.000000
     8  O    3.738367   3.652778   0.000000
     9  H    3.465585   2.069203   2.617223   0.000000
    10  H    2.140613   3.385271   2.648469   2.433592   0.000000
    11  H    4.161813   3.698079   2.272946   3.869983   4.218683
    12  H    3.970563   1.011984   3.890395   2.320230   4.147746
    13  H    2.775036   1.012256   3.917883   2.921981   3.730773
    14  H    1.092181   2.745119   4.474733   3.813071   3.060294
    15  H    1.092045   3.322158   3.334237   3.789780   2.507212
    16  H    1.090922   4.016703   4.470280   4.283150   2.468071
    17  H    2.810209   2.701198   4.981743   3.009812   3.055322
    18  H    2.742119   4.008138   5.044410   3.673334   2.501866
    19  H    3.477873   3.393498   4.444981   2.455050   2.470303
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.741628   0.000000
    13  H    3.457012   1.623989   0.000000
    14  H    4.519209   3.719158   2.316487   0.000000
    15  H    3.404835   4.167441   2.918662   1.770213   0.000000
    16  H    5.076144   5.005716   3.820992   1.758111   1.761541
    17  H    5.818909   3.520831   3.159941   2.618981   3.808376
    18  H    6.292967   4.899655   4.375962   3.067073   3.757986
    19  H    5.915120   4.032441   4.123419   3.796636   4.332194
                   16         17         18         19
    16  H    0.000000
    17  H    3.180945   0.000000
    18  H    2.542338   1.770824   0.000000
    19  H    3.755890   1.765383   1.765798   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.457159   -0.146332   -0.647837
      2          6           0        1.109574   -0.543619   -0.050687
      3          6           0       -0.012989    0.384911   -0.578811
      4          6           0       -1.363704   -0.252903   -0.259735
      5          8           0       -2.091645    0.444358    0.645421
      6          6           0        1.162885   -0.565114    1.477637
      7          7           0        0.173654    1.758943   -0.144286
      8          8           0       -1.758233   -1.282971   -0.742079
      9          1           0        0.050109    0.366136   -1.669549
     10          1           0        0.854606   -1.547323   -0.399183
     11          1           0       -2.909790   -0.057734    0.787298
     12          1           0       -0.455006    2.381115   -0.636018
     13          1           0       -0.032228    1.857361    0.841913
     14          1           0        1.451195    0.409891    1.876513
     15          1           0        0.203705   -0.845376    1.918080
     16          1           0        1.905982   -1.287391    1.818568
     17          1           0        2.716265    0.875135   -0.368973
     18          1           0        3.243945   -0.813424   -0.290625
     19          1           0        2.437115   -0.203744   -1.738160
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9902404           1.4258101           1.3186332
 Leave Link  202 at Thu Aug 12 21:39:39 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.7550570018 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:39:39 2021, MaxMem=  5368709120 cpu:               4.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  4.78D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:39:40 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:39:40 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer06_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:39:40 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.868705818676    
 DIIS: error= 4.33D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.868705818676     IErMin= 1 ErrMin= 4.33D-03
 ErrMax= 4.33D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-02 BMatP= 1.74D-02
 IDIUse=3 WtCom= 9.57D-01 WtEn= 4.33D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.439 Goal=   None    Shift=    0.000
 GapD=    0.439 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.65D-03 MaxDP=1.60D-01              OVMax= 1.97D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.65D-03    CP:  1.00D+00
 E= -401.885951639376     Delta-E=       -0.017245820700 Rises=F Damp=F
 DIIS: error= 2.14D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.885951639376     IErMin= 2 ErrMin= 2.14D-03
 ErrMax= 2.14D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.55D-04 BMatP= 1.74D-02
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.14D-02
 Coeff-Com:  0.695D-03 0.999D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.681D-03 0.999D+00
 Gap=     0.392 Goal=   None    Shift=    0.000
 RMSDP=9.81D-04 MaxDP=3.77D-02 DE=-1.72D-02 OVMax= 9.04D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.08D-04    CP:  9.98D-01  1.15D+00
 E= -401.886667385733     Delta-E=       -0.000715746357 Rises=F Damp=F
 DIIS: error= 1.70D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.886667385733     IErMin= 3 ErrMin= 1.70D-03
 ErrMax= 1.70D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.24D-04 BMatP= 9.55D-04
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.70D-02
 Coeff-Com: -0.626D-01 0.481D+00 0.582D+00
 Coeff-En:   0.000D+00 0.205D-01 0.979D+00
 Coeff:     -0.616D-01 0.473D+00 0.589D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.95D-04 MaxDP=8.31D-03 DE=-7.16D-04 OVMax= 3.82D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.46D-04    CP:  9.98D-01  1.17D+00  9.62D-01
 E= -401.887148201339     Delta-E=       -0.000480815606 Rises=F Damp=F
 DIIS: error= 3.05D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.887148201339     IErMin= 4 ErrMin= 3.05D-04
 ErrMax= 3.05D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-05 BMatP= 7.24D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.05D-03
 Coeff-Com: -0.175D-01 0.608D-01 0.160D+00 0.797D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.174D-01 0.607D-01 0.159D+00 0.797D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=6.66D-05 MaxDP=2.25D-03 DE=-4.81D-04 OVMax= 1.44D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.90D-05    CP:  9.98D-01  1.18D+00  1.00D+00  1.16D+00
 E= -401.887169710203     Delta-E=       -0.000021508864 Rises=F Damp=F
 DIIS: error= 1.42D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.887169710203     IErMin= 5 ErrMin= 1.42D-04
 ErrMax= 1.42D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.95D-06 BMatP= 2.34D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.42D-03
 Coeff-Com:  0.201D-02-0.444D-01-0.266D-01 0.343D+00 0.726D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.201D-02-0.443D-01-0.265D-01 0.342D+00 0.727D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=2.71D-05 MaxDP=8.05D-04 DE=-2.15D-05 OVMax= 6.75D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.24D-05    CP:  9.98D-01  1.18D+00  1.02D+00  1.20D+00  1.06D+00
 E= -401.887175069781     Delta-E=       -0.000005359578 Rises=F Damp=F
 DIIS: error= 3.39D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.887175069781     IErMin= 6 ErrMin= 3.39D-05
 ErrMax= 3.39D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.74D-07 BMatP= 5.95D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.284D-02-0.281D-01-0.306D-01 0.849D-01 0.354D+00 0.617D+00
 Coeff:      0.284D-02-0.281D-01-0.306D-01 0.849D-01 0.354D+00 0.617D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=8.87D-06 MaxDP=2.54D-04 DE=-5.36D-06 OVMax= 2.43D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.78D-06    CP:  9.98D-01  1.18D+00  1.03D+00  1.21D+00  1.09D+00
                    CP:  1.16D+00
 E= -401.887175834623     Delta-E=       -0.000000764842 Rises=F Damp=F
 DIIS: error= 6.36D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.887175834623     IErMin= 7 ErrMin= 6.36D-06
 ErrMax= 6.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.44D-08 BMatP= 8.74D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.217D-03 0.794D-03-0.159D-02-0.307D-01-0.327D-01 0.994D-01
 Coeff-Com:  0.965D+00
 Coeff:      0.217D-03 0.794D-03-0.159D-02-0.307D-01-0.327D-01 0.994D-01
 Coeff:      0.965D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=5.79D-06 MaxDP=2.25D-04 DE=-7.65D-07 OVMax= 1.62D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.96D-06    CP:  9.98D-01  1.18D+00  1.03D+00  1.20D+00  1.12D+00
                    CP:  1.34D+00  1.28D+00
 E= -401.887175911996     Delta-E=       -0.000000077373 Rises=F Damp=F
 DIIS: error= 2.17D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.887175911996     IErMin= 8 ErrMin= 2.17D-06
 ErrMax= 2.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.54D-09 BMatP= 3.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.204D-03 0.268D-02 0.259D-02-0.140D-01-0.370D-01-0.464D-01
 Coeff-Com:  0.153D+00 0.940D+00
 Coeff:     -0.204D-03 0.268D-02 0.259D-02-0.140D-01-0.370D-01-0.464D-01
 Coeff:      0.153D+00 0.940D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=2.50D-06 MaxDP=1.27D-04 DE=-7.74D-08 OVMax= 6.37D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.14D-06    CP:  9.98D-01  1.18D+00  1.03D+00  1.20D+00  1.13D+00
                    CP:  1.41D+00  1.41D+00  1.30D+00
 E= -401.887175920444     Delta-E=       -0.000000008447 Rises=F Damp=F
 DIIS: error= 9.11D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.887175920444     IErMin= 9 ErrMin= 9.11D-07
 ErrMax= 9.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.25D-10 BMatP= 3.54D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.728D-04 0.656D-03 0.860D-03-0.129D-02-0.629D-02-0.237D-01
 Coeff-Com: -0.499D-01 0.264D+00 0.816D+00
 Coeff:     -0.728D-04 0.656D-03 0.860D-03-0.129D-02-0.629D-02-0.237D-01
 Coeff:     -0.499D-01 0.264D+00 0.816D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=7.79D-07 MaxDP=7.52D-05 DE=-8.45D-09 OVMax= 2.04D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.50D-07    CP:  9.98D-01  1.18D+00  1.03D+00  1.20D+00  1.13D+00
                    CP:  1.42D+00  1.45D+00  1.45D+00  1.23D+00
 E= -401.887175921386     Delta-E=       -0.000000000942 Rises=F Damp=F
 DIIS: error= 2.97D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.887175921386     IErMin=10 ErrMin= 2.97D-07
 ErrMax= 2.97D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.04D-11 BMatP= 5.25D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.556D-05-0.181D-03-0.111D-03 0.157D-02 0.373D-02 0.761D-04
 Coeff-Com: -0.327D-01-0.662D-01 0.185D+00 0.908D+00
 Coeff:      0.556D-05-0.181D-03-0.111D-03 0.157D-02 0.373D-02 0.761D-04
 Coeff:     -0.327D-01-0.662D-01 0.185D+00 0.908D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=3.42D-07 MaxDP=2.04D-05 DE=-9.42D-10 OVMax= 8.41D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.38D-07    CP:  9.98D-01  1.18D+00  1.03D+00  1.20D+00  1.13D+00
                    CP:  1.43D+00  1.46D+00  1.51D+00  1.41D+00  1.14D+00
 E= -401.887175921503     Delta-E=       -0.000000000117 Rises=F Damp=F
 DIIS: error= 8.14D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.887175921503     IErMin=11 ErrMin= 8.14D-08
 ErrMax= 8.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.46D-12 BMatP= 6.04D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.105D-04-0.124D-03-0.132D-03 0.536D-03 0.167D-02 0.267D-02
 Coeff-Com: -0.247D-02-0.455D-01-0.438D-01 0.224D+00 0.863D+00
 Coeff:      0.105D-04-0.124D-03-0.132D-03 0.536D-03 0.167D-02 0.267D-02
 Coeff:     -0.247D-02-0.455D-01-0.438D-01 0.224D+00 0.863D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.05D-07 MaxDP=8.10D-06 DE=-1.17D-10 OVMax= 2.38D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.12D-08    CP:  9.98D-01  1.18D+00  1.03D+00  1.20D+00  1.13D+00
                    CP:  1.43D+00  1.46D+00  1.52D+00  1.47D+00  1.26D+00
                    CP:  1.14D+00
 E= -401.887175921522     Delta-E=       -0.000000000019 Rises=F Damp=F
 DIIS: error= 2.66D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.887175921522     IErMin=12 ErrMin= 2.66D-08
 ErrMax= 2.66D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.18D-13 BMatP= 6.46D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.131D-05-0.457D-05-0.126D-04-0.558D-04-0.800D-04 0.484D-03
 Coeff-Com:  0.294D-02-0.183D-02-0.292D-01-0.522D-01 0.188D+00 0.892D+00
 Coeff:      0.131D-05-0.457D-05-0.126D-04-0.558D-04-0.800D-04 0.484D-03
 Coeff:      0.294D-02-0.183D-02-0.292D-01-0.522D-01 0.188D+00 0.892D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=3.07D-08 MaxDP=1.78D-06 DE=-1.85D-11 OVMax= 8.02D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.10D-08    CP:  9.98D-01  1.18D+00  1.03D+00  1.20D+00  1.13D+00
                    CP:  1.43D+00  1.46D+00  1.52D+00  1.49D+00  1.28D+00
                    CP:  1.26D+00  1.14D+00
 E= -401.887175921534     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 1.17D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -401.887175921534     IErMin=13 ErrMin= 1.17D-08
 ErrMax= 1.17D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.62D-14 BMatP= 7.18D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.109D-05 0.145D-04 0.147D-04-0.736D-04-0.219D-03-0.263D-03
 Coeff-Com:  0.732D-03 0.538D-02 0.153D-02-0.352D-01-0.874D-01 0.126D+00
 Coeff-Com:  0.990D+00
 Coeff:     -0.109D-05 0.145D-04 0.147D-04-0.736D-04-0.219D-03-0.263D-03
 Coeff:      0.732D-03 0.538D-02 0.153D-02-0.352D-01-0.874D-01 0.126D+00
 Coeff:      0.990D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=9.56D-09 MaxDP=4.82D-07 DE=-1.27D-11 OVMax= 3.59D-07

 SCF Done:  E(RM11) =  -401.887175922     A.U. after   13 cycles
            NFock= 13  Conv=0.96D-08     -V/T= 2.0115
 KE= 3.973367329831D+02 PE=-1.751611381780D+03 EE= 5.446324158736D+02
 Leave Link  502 at Thu Aug 12 21:41:02 2021, MaxMem=  5368709120 cpu:             652.8 elap:              82.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.27110074D+02

 Leave Link  801 at Thu Aug 12 21:41:03 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 1.71D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.52D-01 4.44D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 1.64D-02 2.97D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.49D-03 7.94D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 9.60D-05 1.72D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 3.30D-06 2.66D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 9.82D-08 4.96D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 2.28D-09 6.91D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 4.16D-11 8.77D-07.
      9 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 8.39D-13 1.03D-07.
      4 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 1.36D-14 1.38D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.865141D+02
      2  0.859853D+00  0.760714D+02
      3 -0.197771D+01  0.185474D+01  0.734811D+02
 Isotropic polarizability for W=    0.088559       78.69 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.716563D+02 -0.183929D+02  0.467834D+01
      2  -0.394400D+02  0.198477D+02 -0.963714D+01
      3  -0.322163D+02 -0.145476D+01  0.495880D+01
      4  -0.227689D+02  0.409144D+02 -0.186292D+02
      5   0.994301D+01 -0.213816D+02  0.632259D+02
      6  -0.566621D+01  0.941163D+00 -0.933786D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.359035D+00 -0.708662D+00  0.124305D+01
      2   0.515808D+01 -0.709428D+01  0.335986D+02
      3   0.569954D+01 -0.256053D+02  0.778775D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.275231D+01  0.105783D+02  0.788310D+01
      2  -0.526466D+01 -0.129630D+02  0.954422D+02
      3  -0.437595D+01 -0.803543D+02  0.157153D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.341342D+00 -0.448149D+00 -0.129725D+01
      2  -0.448149D+00  0.473601D+00 -0.112342D+00
      3  -0.129725D+01 -0.112342D+00  0.202180D+00
 OR G Eigenvalues:    -1.4851     0.5140     1.3056  Iso=    -0.1115
 Eigenvectors:
   (1)   0.768205   0.210440   0.604629
   (2)  -0.004006   0.945993  -0.324162
   (3)  -0.640191   0.246601   0.727560
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1115 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      -48.25 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 7.97D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.04D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 3.41D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 3.41D-02 3.21D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 1.35D-03 5.22D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 2.03D-05 6.71D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 2.85D-07 7.06D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 3.79D-09 6.35D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 3.84D-11 6.80D-07.
     30 vectors produced by pass  7 Test12= 1.97D-14 2.78D-09 XBig12= 2.98D-13 4.76D-08.
      4 vectors produced by pass  8 Test12= 1.97D-14 2.78D-09 XBig12= 2.24D-15 4.48D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   244 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.01D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.01D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.97D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.865141D+02  0.859853D+00 -0.197771D+01
      2   0.859853D+00  0.760714D+02  0.185474D+01
      3  -0.197771D+01  0.185474D+01  0.734811D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.359035D+00 -0.708662D+00  0.124305D+01
      2   0.515808D+01 -0.709428D+01  0.335986D+02
      3   0.569954D+01 -0.256053D+02  0.778775D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.716563D+02 -0.183929D+02  0.467834D+01
      2  -0.394400D+02  0.198477D+02 -0.963714D+01
      3  -0.322163D+02 -0.145476D+01  0.495880D+01
      4  -0.227689D+02  0.409144D+02 -0.186292D+02
      5   0.994301D+01 -0.213816D+02  0.632259D+02
      6  -0.566621D+01  0.941163D+00 -0.933786D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.348752D-01  0.302504D+01 -0.331769D+01  0.450222D+01 -0.350071D+01
      2   0.302504D+01 -0.294208D+01  0.843467D-01 -0.350071D+01 -0.313520D+01
      3  -0.331769D+01  0.843467D-01  0.544135D+00  0.533507D-01 -0.202657D+01
                 6             7             8             9            10 
      1   0.533507D-01 -0.423774D+01  0.370745D+00 -0.595427D+00  0.170385D+01
      2  -0.202657D+01  0.370745D+00 -0.204409D+01  0.243155D+00 -0.261119D+01
      3   0.561872D+00 -0.595427D+00  0.243155D+00  0.736646D+01  0.393667D+01
                11            12            13            14            15 
      1  -0.261119D+01  0.393667D+01 -0.620405D+01  0.297089D+01  0.130386D-01
      2   0.322547D+01  0.216463D+00  0.297089D+01  0.416673D+01  0.278403D+01
      3   0.216463D+00 -0.308740D+00  0.130386D-01  0.278403D+01  0.523560D+00
                16            17            18            19            20 
      1   0.537948D+01  0.954890D-01  0.202792D+00 -0.280063D+01  0.367718D+01
      2   0.954890D-01  0.273927D+01  0.104748D+01  0.367718D+01 -0.658315D+00
      3   0.202792D+00  0.104748D+01 -0.528630D+01 -0.237422D+01  0.181480D+00
                21            22            23            24            25 
      1  -0.237422D+01  0.659560D+01 -0.428954D+00  0.282786D+00 -0.225251D+01
      2   0.181480D+00 -0.428954D+00 -0.910056D+00 -0.117074D+01  0.394073D+00
      3  -0.509281D+00  0.282786D+00 -0.117074D+01  0.107764D+01 -0.973748D+00
                26            27            28            29            30 
      1   0.394073D+00 -0.973748D+00 -0.951889D+00 -0.136326D+01  0.127150D+01
      2  -0.111803D+01  0.103082D+00 -0.136326D+01  0.576042D+00  0.136053D+01
      3   0.103082D+00  0.624724D+01  0.127150D+01  0.136053D+01  0.548790D+00
                31            32            33            34            35 
      1   0.211384D+01  0.788613D+00  0.142177D+01  0.105351D+01  0.168323D+01
      2   0.788613D+00  0.267538D+01  0.163668D+01  0.168323D+01  0.186748D+01
      3   0.142177D+01  0.163668D+01  0.925901D+00  0.479135D+00  0.162080D+00
                36            37            38            39            40 
      1   0.479135D+00  0.369283D+01  0.273685D+01 -0.588471D+00  0.458309D+01
      2   0.162080D+00  0.273685D+01  0.184045D+00 -0.712496D+00 -0.706758D+00
      3  -0.236330D-02 -0.588471D+00 -0.712496D+00  0.527742D+00 -0.147648D+01
                41            42            43            44            45 
      1  -0.706758D+00 -0.147648D+01  0.437312D+00 -0.102783D+01 -0.729865D+00
      2   0.307887D+01  0.797807D+00 -0.102783D+01  0.447592D+00  0.126832D+01
      3   0.797807D+00  0.149376D+01 -0.729865D+00  0.126832D+01  0.266556D+01
                46            47            48            49            50 
      1   0.146126D+01  0.345500D+01 -0.436272D+01  0.376447D+01 -0.321084D+01
      2   0.345500D+01 -0.306369D+01  0.965317D-01 -0.321084D+01 -0.184528D+01
      3  -0.436272D+01  0.965317D-01  0.275163D+00  0.116657D+00 -0.365040D+01
                51            52            53            54            55 
      1   0.116657D+00 -0.365702D+01 -0.117940D+00  0.343733D+00  0.260778D+01
      2  -0.365040D+01 -0.117940D+00 -0.295837D+01 -0.618971D+00 -0.146260D+01
      3   0.208242D+00  0.343733D+00 -0.618971D+00  0.358295D+01  0.116248D+01
                56            57            58            59            60 
      1  -0.146260D+01  0.116248D+01 -0.117562D+01  0.293249D+01 -0.680334D+00
      2   0.415422D+01 -0.732411D+00  0.293249D+01  0.250181D+01  0.114331D+01
      3  -0.732411D+00  0.211912D+01 -0.680334D+00  0.114331D+01 -0.109359D+01
                61            62            63            64            65 
      1   0.140144D+01 -0.935607D+00  0.217460D+01 -0.346671D+01 -0.299984D+01
      2  -0.935607D+00  0.124423D+01 -0.665367D+00 -0.299984D+01 -0.249121D+01
      3   0.217460D+01 -0.665367D+00 -0.349566D+01 -0.188797D+01 -0.121199D+01
                66            67            68            69            70 
      1  -0.188797D+01 -0.553744D+01 -0.291344D+01 -0.102006D+01 -0.258336D+01
      2  -0.121199D+01 -0.291344D+01 -0.910858D+01 -0.270338D+01 -0.111314D+01
      3  -0.124835D+01 -0.102006D+01 -0.270338D+01 -0.277920D+01 -0.178037D+01
                71            72            73            74            75 
      1  -0.111314D+01 -0.178037D+01  0.595465D+00 -0.468650D+00 -0.959848D+00
      2  -0.241038D+01 -0.282376D+01 -0.468650D+00  0.194226D+00 -0.825940D-01
      3  -0.282376D+01 -0.372070D+01 -0.959848D+00 -0.825940D-01  0.215580D+00
                76            77            78            79            80 
      1  -0.115373D+01  0.168408D+00 -0.936240D-02 -0.142582D+01 -0.111331D+00
      2   0.168408D+00  0.528945D+00 -0.112923D+01 -0.111331D+00 -0.138023D+01
      3  -0.936240D-02 -0.112923D+01  0.352236D-01  0.142454D+00  0.502565D+00
                81            82            83            84            85 
      1   0.142454D+00 -0.122743D+01 -0.864563D+00 -0.100392D+01 -0.985985D+00
      2   0.502565D+00 -0.864563D+00 -0.103591D+01 -0.715004D-01 -0.941991D+00
      3  -0.846104D+01 -0.100392D+01 -0.715004D-01 -0.294323D+00 -0.795866D-01
                86            87            88            89            90 
      1  -0.941991D+00 -0.795866D-01 -0.133684D+01 -0.127655D+00 -0.163574D+00
      2  -0.695342D+01 -0.167316D+01 -0.127655D+00 -0.164271D+01 -0.158700D+01
      3  -0.167316D+01 -0.172603D+01 -0.163574D+00 -0.158700D+01 -0.674349D+00
                91            92            93            94            95 
      1  -0.790222D+01 -0.929670D+00  0.230327D+01 -0.347152D+01 -0.135085D+01
      2  -0.929670D+00 -0.129630D+01  0.175102D+00 -0.135085D+01 -0.618601D+00
      3   0.230327D+01  0.175102D+00 -0.166072D+01  0.115028D+01  0.496564D+00
                96            97            98            99           100 
      1   0.115028D+01  0.156160D+01  0.248065D+00 -0.123562D+01 -0.180454D+01
      2   0.496564D+00  0.248065D+00  0.432579D+00 -0.880718D-01  0.238490D+01
      3  -0.763105D+00 -0.123562D+01 -0.880718D-01  0.115921D+01 -0.102996D+01
               101           102           103           104           105 
      1   0.238490D+01 -0.102996D+01  0.206337D+01 -0.259722D+01  0.835483D+00
      2  -0.328986D+01  0.108867D+01 -0.259722D+01  0.497320D+01 -0.147589D+01
      3   0.108867D+01 -0.103697D+01  0.835483D+00 -0.147589D+01  0.124320D+01
               106           107           108           109           110 
      1  -0.156022D+01  0.133120D+01 -0.115263D+01 -0.127859D+00  0.603681D+00
      2   0.133120D+01 -0.242262D+01  0.158132D+01  0.603681D+00 -0.348094D+00
      3  -0.115263D+01  0.158132D+01 -0.141402D+01  0.218747D+00 -0.336334D+00
               111           112           113           114           115 
      1   0.218747D+00  0.447842D+00 -0.225391D+00 -0.305810D+00  0.899751D+00
      2  -0.336334D+00 -0.225391D+00  0.105854D+01  0.859277D+00 -0.463401D+00
      3  -0.744067D+00 -0.305810D+00  0.859277D+00  0.850330D+00 -0.696810D+00
               116           117           118           119           120 
      1  -0.463401D+00 -0.696810D+00  0.939982D+00  0.725419D+00  0.121634D+01
      2   0.200400D+01  0.142938D+01  0.725419D+00  0.128485D+01  0.552425D+00
      3   0.142938D+01  0.514090D+01  0.121634D+01  0.552425D+00  0.942872D+00
               121           122           123           124           125 
      1   0.124562D+01  0.120949D+01  0.798143D+00  0.968242D+00  0.457157D+00
      2   0.120949D+01  0.477672D+01  0.218717D+01  0.457157D+00  0.169996D+01
      3   0.798143D+00  0.218717D+01  0.300071D+01  0.578907D+00  0.168898D+01
               126           127           128           129           130 
      1   0.578907D+00 -0.544044D+01 -0.137958D+01  0.242826D+01 -0.147107D+01
      2   0.168898D+01 -0.137958D+01 -0.106184D+01  0.898224D+00 -0.729638D+00
      3   0.211044D+01  0.242826D+01  0.898224D+00 -0.310868D+01  0.586303D+00
               131           132           133           134           135 
      1  -0.729638D+00  0.586303D+00  0.195498D+01  0.540846D+00 -0.196418D+01
      2  -0.976654D+00  0.129330D+01  0.540846D+00  0.951326D+00 -0.773142D+00
      3   0.129330D+01 -0.108454D+01 -0.196418D+01 -0.773142D+00  0.251867D+01
               136           137           138           139           140 
      1   0.398279D+01 -0.263911D+01  0.243620D+01 -0.284124D+01  0.264924D+01
      2  -0.263911D+01  0.253912D+01 -0.132355D+01  0.264924D+01 -0.360862D+01
      3   0.243620D+01 -0.132355D+01  0.224277D+01 -0.135739D+01  0.234087D+01
               141           142           143           144           145 
      1  -0.135739D+01  0.146587D+01 -0.907254D+00  0.153814D+01  0.150965D+01
      2   0.234087D+01 -0.907254D+00  0.152879D+01 -0.145854D+01  0.133452D+01
      3  -0.226028D+01  0.153814D+01 -0.145854D+01  0.185100D+01  0.518823D+00
               146           147           148           149           150 
      1   0.133452D+01  0.518823D+00  0.267615D+01  0.223038D+01 -0.129999D+00
      2   0.160489D+01  0.114256D+00  0.223038D+01  0.581894D+01  0.607970D+00
      3   0.114256D+00  0.266879D+00 -0.129999D+00  0.607970D+00  0.129871D+01
               151           152           153           154           155 
      1   0.125351D+01  0.342909D+00  0.533094D+00  0.690902D+01 -0.293425D+01
      2   0.342909D+00  0.114850D+01  0.891479D+00 -0.293425D+01  0.219748D+01
      3   0.533094D+00  0.891479D+00 -0.113720D+00  0.985507D+00 -0.341050D+00
               156           157           158           159           160 
      1   0.985507D+00 -0.457561D+01  0.299245D+01 -0.261290D+00  0.261293D+01
      2  -0.341050D+00  0.299245D+01 -0.258547D+01  0.685413D+00 -0.685045D+00
      3   0.100191D+01 -0.261290D+00  0.685413D+00 -0.110542D+01  0.124281D+01
               161           162           163           164           165 
      1  -0.685045D+00  0.124281D+01  0.284220D+00 -0.289881D+00 -0.952999D+00
      2   0.948813D+00 -0.789833D+00 -0.289881D+00  0.226945D+00  0.438937D-01
      3  -0.789833D+00  0.207948D+00 -0.952999D+00  0.438937D-01  0.226174D+00
               166           167           168           169           170 
      1  -0.575938D+00  0.663816D+00  0.624898D-01 -0.193512D+01  0.254896D-01
      2   0.663816D+00  0.162757D+00 -0.100300D+01  0.254896D-01 -0.103611D+01
      3   0.624898D-01 -0.100300D+01 -0.407004D+00  0.205657D+01 -0.113154D+00
               171 
      1   0.205657D+01
      2  -0.113154D+00
      3  -0.968222D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.294439D+01  0.249126D+01  0.118668D+00  0.347899D+01  0.225235D+01
      2  -0.956094D+01  0.281906D+01  0.359106D+00  0.401166D+01 -0.857557D+01
      3  -0.830682D+01  0.579600D+01  0.697109D+00  0.137779D+02  0.105490D+02
                 6             7             8             9            10 
      1  -0.704321D+00  0.647198D+00  0.331068D+01 -0.219858D+00  0.333956D+01
      2   0.136835D+01 -0.937597D+01  0.811726D+00  0.214089D+02  0.756056D+01
      3   0.470088D+01 -0.906932D+00  0.583353D+01 -0.113181D+01  0.352468D+01
                11            12            13            14            15 
      1  -0.407549D+00  0.190451D+00 -0.791925D+00  0.331180D+01 -0.435349D+01
      2  -0.906137D+00  0.452519D+01 -0.435600D+01  0.370669D+01  0.396496D-01
      3  -0.462199D+01 -0.131171D+01  0.153272D+01 -0.953782D+01 -0.431273D+01
                16            17            18            19            20 
      1  -0.443950D+00  0.261243D+01 -0.278416D+01 -0.386981D+01  0.368253D+00
      2  -0.258641D+01  0.123862D+01 -0.547332D+01 -0.196212D+00  0.842936D+00
      3  -0.575322D+00 -0.371150D+01 -0.284972D+00  0.903493D+00 -0.468878D+01
                21            22            23            24            25 
      1  -0.112784D+01 -0.790305D+00  0.739302D+00  0.160572D+01 -0.457374D+00
      2   0.108862D+01  0.702311D+01 -0.843965D+00  0.161595D+01 -0.684800D+01
      3   0.143513D+01  0.260585D+01  0.639174D+00  0.283819D+01 -0.127563D+01
                26            27            28            29            30 
      1   0.528166D+01 -0.198933D+01  0.924834D+00  0.422109D-01  0.213619D+01
      2   0.952535D-01 -0.277725D+01 -0.905641D+01 -0.163854D+00 -0.293352D+01
      3   0.146910D+01 -0.401164D+00 -0.631393D+01  0.129701D+01 -0.204492D+01
                31            32            33            34            35 
      1   0.247487D+01 -0.617545D+01  0.107834D+01 -0.162365D+01  0.219290D+01
      2   0.881188D+01 -0.632230D+00 -0.505389D+01 -0.118763D+02 -0.370728D+01
      3   0.445502D+01  0.980469D+01 -0.429838D+00 -0.557401D+01 -0.225129D+01
                36            37            38            39            40 
      1   0.777528D+01  0.110539D+01 -0.131351D+00  0.124029D+01  0.193375D+01
      2   0.360587D+01  0.790240D+00  0.514534D-01  0.245509D+01 -0.888698D+00
      3   0.200116D+01  0.601866D+01 -0.171140D+01 -0.119518D+01  0.480660D+01
                41            42            43            44            45 
      1   0.240178D+01 -0.276749D+01  0.969951D+00  0.353063D+01 -0.154014D+01
      2  -0.326305D+01 -0.282442D+01 -0.362903D+00 -0.279619D+01 -0.714566D+01
      3   0.840269D+01  0.149993D+01  0.243275D+01  0.234703D+01  0.189530D+01
                46            47            48            49            50 
      1   0.337071D+01 -0.576193D+01  0.452672D+00 -0.610516D+01 -0.603850D+01
      2  -0.101249D+02 -0.682172D+01  0.128649D+02 -0.553025D+01  0.792799D+00
      3  -0.605313D+01 -0.396547D+00  0.284344D+01  0.389410D+01  0.493974D+01
                51            52            53            54            55 
      1  -0.111175D+02  0.865590D-01 -0.441425D+01  0.249644D+01 -0.185749D+01
      2  -0.926843D-01  0.583301D+01 -0.557187D+00  0.316472D+01  0.899167D+00
      3   0.473800D+01  0.266763D+01  0.372139D+01  0.441126D+00  0.619797D+01
                56            57            58            59            60 
      1   0.107174D+01 -0.588720D+01  0.101755D+01 -0.480959D+01 -0.312939D+01
      2   0.118571D+01  0.454067D+01 -0.138607D+01  0.202279D+00 -0.579153D-01
      3  -0.102425D+02  0.169270D+01  0.287747D+01  0.684303D+01 -0.270579D+01
                61            62            63            64            65 
      1  -0.446126D+01  0.671674D+01  0.867509D+01  0.137118D+01  0.267182D+01
      2  -0.141573D+01  0.333183D+00 -0.565870D+00  0.100626D+01  0.267498D+00
      3   0.288833D+01 -0.201571D+01  0.545176D+01  0.133314D+01 -0.533351D+01
                66            67            68            69            70 
      1  -0.324577D+01  0.235216D+00  0.498078D+01 -0.739799D+01  0.709012D+00
      2   0.566111D+01 -0.857822D+01  0.253158D+01  0.610775D+01 -0.159830D+00
      3  -0.528585D+00  0.425028D+01 -0.157207D+02 -0.319124D+01  0.121128D+01
                71            72            73            74            75 
      1   0.350781D+01 -0.314617D+01  0.852710D+00 -0.234619D+00  0.841387D-01
      2   0.578684D+01  0.418482D+01  0.126107D+01 -0.245861D+00 -0.168590D+00
      3  -0.215480D+01 -0.476835D+01  0.102243D+01 -0.427473D+00 -0.688836D+00
                76            77            78            79            80 
      1  -0.684940D-01 -0.562539D+00 -0.187683D-01  0.132751D+00  0.336256D+01
      2  -0.856557D+00  0.461589D+00 -0.265623D-01 -0.353953D+01 -0.167844D-01
      3   0.113328D+01  0.126423D+00 -0.473481D+00 -0.324520D+00 -0.420672D+00
                81            82            83            84            85 
      1   0.193082D+01 -0.128021D+01  0.210419D-01 -0.574770D+00 -0.152401D+00
      2   0.836940D+00 -0.197279D+01 -0.349394D+00  0.905228D-02 -0.754450D+00
      3   0.747334D-01  0.331506D+01  0.137981D+01  0.105755D+01  0.513774D+01
                86            87            88            89            90 
      1   0.337408D-01 -0.347570D+01 -0.203241D+00  0.165967D+00 -0.583859D+00
      2  -0.197948D+01 -0.171734D+01 -0.217369D+01 -0.185077D+01 -0.766760D+00
      3   0.891222D+01  0.236172D+01  0.202893D+01  0.225943D+01  0.220376D+01
                91            92            93            94            95 
      1  -0.172452D+01 -0.123166D+01  0.450627D+00 -0.897527D+00 -0.933692D+00
      2  -0.721119D+00  0.294175D+00  0.389597D+01 -0.790725D+00 -0.578455D+00
      3  -0.453691D+01 -0.435686D+01  0.154403D+01 -0.289945D+01 -0.293445D+01
                96            97            98            99           100 
      1  -0.121914D+00  0.730243D+00  0.503482D+00 -0.441319D+00  0.139465D+01
      2   0.191916D+01  0.816029D+00  0.494126D+00 -0.160241D+01 -0.117216D+01
      3   0.107428D+01  0.148664D+01  0.138077D+01 -0.657430D+00 -0.531245D+01
               101           102           103           104           105 
      1  -0.166957D+01  0.316833D+01 -0.148171D+01  0.161064D+01 -0.322382D+01
      2   0.515095D+00  0.415062D+00  0.675604D+00 -0.617027D+00 -0.328546D+00
      3   0.440671D+01 -0.247138D+01  0.681067D+01 -0.568407D+01  0.255501D+01
               106           107           108           109           110 
      1   0.210738D+01 -0.153522D+01  0.232446D+01 -0.382906D+00  0.887125D+00
      2  -0.144520D+01  0.286907D+00 -0.440097D-01  0.718250D+00  0.392214D-01
      3  -0.408175D+01  0.321129D+01 -0.293547D+01 -0.334588D+00  0.348157D+00
               111           112           113           114           115 
      1   0.206101D+01  0.963084D+00 -0.199042D+01 -0.240371D+01  0.161513D+01
      2  -0.196881D+00  0.686687D-01 -0.295232D-01  0.362183D+00 -0.230864D+01
      3   0.597352D+00  0.123461D+01 -0.822115D+00 -0.903908D+00  0.252895D+01
               116           117           118           119           120 
      1  -0.159210D+01 -0.137027D+02  0.197466D+01  0.281922D+01  0.121229D+01
      2   0.440404D+00  0.921776D+00  0.265037D+00 -0.542984D+00  0.329667D+00
      3  -0.111687D+01 -0.218737D+01 -0.741685D+00 -0.268857D+01 -0.121377D+01
               121           122           123           124           125 
      1   0.229604D+01  0.126952D+02  0.340359D+01  0.146823D+01  0.557457D+01
      2  -0.229670D+01  0.928500D+00  0.313314D+01 -0.215833D+01  0.121726D+01
      3   0.743299D-01 -0.774572D+01 -0.274975D+01 -0.593857D+00 -0.225310D+01
               126           127           128           129           130 
      1   0.381395D+01 -0.650967D+00 -0.227162D+01 -0.130639D+01 -0.107495D+01
      2   0.175627D+01  0.160193D+02  0.351996D+01 -0.568502D+01  0.371131D+01
      3  -0.252015D+01  0.638715D+01  0.320931D+00 -0.236058D+01  0.313620D+01
               131           132           133           134           135 
      1  -0.617033D+00  0.539832D+00 -0.537973D+00  0.244117D+01  0.449680D+00
      2   0.271361D+01 -0.179868D+01 -0.790520D+01 -0.195672D+01  0.545536D+01
      3   0.118147D+01 -0.179878D+01 -0.221282D+01 -0.650349D+00  0.223010D+01
               136           137           138           139           140 
      1  -0.287934D+01  0.444723D+01  0.306400D+00  0.370574D+01 -0.485399D+01
      2  -0.406021D+01  0.282237D+01  0.948880D+00  0.403594D+01 -0.140961D+01
      3  -0.247224D-01 -0.298072D+01  0.227647D+00  0.285339D+00  0.349939D+01
               141           142           143           144           145 
      1   0.520037D+00 -0.824242D+00  0.282762D+01 -0.865588D+00 -0.107306D+01
      2  -0.155381D+01 -0.260157D+01 -0.454804D-02  0.219612D+00  0.243385D+01
      3  -0.218679D+01 -0.561524D+00 -0.182964D+01  0.853611D+00 -0.398972D+01
               146           147           148           149           150 
      1  -0.145723D+01 -0.668233D+00 -0.142256D+01 -0.437567D+01 -0.269570D+01
      2   0.136846D+01  0.192469D+01  0.121527D+01  0.403935D+01  0.445380D+01
      3  -0.516102D+01 -0.315257D+00 -0.326753D+01 -0.185754D+02 -0.222236D+01
               151           152           153           154           155 
      1  -0.440559D+00  0.536006D-01 -0.907302D+00  0.230415D+01 -0.150202D+01
      2   0.902359D+00  0.263004D+01  0.377886D+00  0.756324D+01 -0.355755D+01
      3  -0.453127D+00 -0.372167D+01 -0.232987D+01  0.558962D+01 -0.774587D+01
               156           157           158           159           160 
      1   0.141615D+01 -0.195772D+01  0.175284D+01 -0.231073D+01  0.723664D+00
      2   0.583151D+01 -0.375381D+01  0.427683D+01 -0.454992D+01  0.393164D+01
      3   0.100722D+01 -0.590758D+01  0.733780D+01 -0.208493D+01  0.101847D+01
               161           162           163           164           165 
      1  -0.138825D+00  0.909751D+00  0.248600D-01 -0.152357D+00 -0.270094D-01
      2  -0.261253D+01  0.199478D+01 -0.264358D+01 -0.208216D+00  0.885783D+00
      3  -0.319213D+01  0.192696D+01  0.886651D+00 -0.123265D+01  0.998100D-01
               166           167           168           169           170 
      1  -0.371059D+00 -0.351808D+00 -0.178240D+00  0.237224D+00  0.363789D+01
      2  -0.361946D+00 -0.172432D+01 -0.996209D+00  0.133869D-01 -0.266356D+00
      3  -0.676699D+00 -0.781403D+00  0.229894D+01  0.296531D+00  0.309520D+01
               171 
      1  -0.126679D+01
      2  -0.245590D+02
      3   0.138082D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.228399D+01  0.171986D+02 -0.183220D+02  0.216200D+02 -0.211926D+02
      2  -0.429085D+01 -0.703237D+01  0.793961D+01 -0.102944D+02  0.505891D+01
      3   0.657484D+01 -0.101663D+02  0.103823D+02 -0.113257D+02  0.161337D+02
      4   0.204497D+02 -0.182034D+02  0.239448D+01 -0.250865D+02 -0.143400D+02
      5  -0.184182D+02 -0.104310D+01  0.403714D+01 -0.189171D+01 -0.857948D+01
      6  -0.658081D+00  0.210386D+01 -0.560370D-01  0.187564D+01  0.370265D+01
                 6             7             8             9            10 
      1   0.880548D+00 -0.221088D+02  0.244860D+01  0.104795D+02 -0.899781D+01
      2   0.210308D+00  0.691605D+01 -0.578285D+00  0.102500D+02  0.606145D+00
      3  -0.109086D+01  0.151928D+02 -0.187031D+01 -0.207294D+02  0.839167D+01
      4  -0.101736D+02  0.459563D+01 -0.118088D+02  0.295421D+01 -0.776725D+01
      5   0.189523D+01  0.420828D+00  0.159077D+01  0.329000D+02  0.117536D+02
      6   0.161947D+01  0.570787D+00  0.151469D+01 -0.520109D+01 -0.484751D+01
                11            12            13            14            15 
      1  -0.510404D+01  0.113943D+02 -0.678550D+01  0.147701D+02  0.376876D+01
      2   0.779033D+00 -0.802324D+01  0.302211D+01 -0.183607D+02 -0.649522D+01
      3   0.432501D+01 -0.337108D+01  0.376339D+01  0.359063D+01  0.272646D+01
      4   0.695930D+01 -0.211842D+01  0.149402D+02  0.641240D+01  0.545394D+01
      5   0.122229D+01 -0.129676D+01  0.314916D+01  0.531464D+01  0.149152D+01
      6  -0.230151D+00 -0.367669D-01  0.743064D+00 -0.801694D+01  0.162070D+01
                16            17            18            19            20 
      1   0.151076D+02  0.261371D+01  0.423286D+01 -0.121112D+02 -0.131298D+01
      2  -0.753960D+01 -0.385729D+01 -0.984273D+00  0.156386D+02  0.134689D+01
      3  -0.756805D+01  0.124359D+01 -0.324859D+01 -0.352740D+01 -0.339086D-01
      4  -0.285159D+01  0.528295D+01  0.135709D+01  0.629288D+01  0.173092D+01
      5  -0.165714D+01  0.242006D+01 -0.135889D+02  0.309771D+01 -0.904660D+00
      6  -0.606950D+00 -0.235831D+01  0.266620D+01  0.259700D+01 -0.855704D+00
                21            22            23            24            25 
      1   0.678018D+00 -0.140681D+01 -0.267443D+00  0.301826D+01 -0.702852D+01
      2   0.436841D+00  0.210452D-02 -0.376126D+01 -0.154660D+01  0.212834D+01
      3  -0.111486D+01  0.140470D+01  0.402870D+01 -0.147166D+01  0.490018D+01
      4   0.164530D+01 -0.108516D+02  0.111156D+01 -0.376143D+00 -0.504829D+00
      5   0.974545D+00  0.987290D+00  0.479603D+00  0.241554D+00  0.109983D+01
      6   0.464492D+00 -0.586148D+00  0.150208D+01 -0.347189D+01 -0.129174D+01
                26            27            28            29            30 
      1   0.164155D+01  0.103753D+02  0.296031D+01  0.901347D+01 -0.160957D+01
      2  -0.528498D+01  0.123111D+02 -0.742646D+01 -0.846681D+01 -0.261111D+01
      3   0.364343D+01 -0.226864D+02  0.446615D+01 -0.546659D+00  0.422068D+01
      4  -0.241180D+01 -0.673612D-01 -0.127574D+01 -0.989480D+01 -0.696021D+01
      5  -0.123031D+01  0.176939D+01 -0.379977D+01 -0.744125D+01 -0.940521D+01
      6   0.982473D+00  0.470756D+01 -0.568808D+01 -0.136270D+01 -0.357265D+01
                31            32            33            34            35 
      1  -0.158711D+01  0.577163D+01  0.426169D+00 -0.297970D+01 -0.384474D+01
      2  -0.305224D+01 -0.137933D+02  0.590177D+01 -0.160115D+00 -0.295456D+01
      3   0.463935D+01  0.802164D+01 -0.632794D+01  0.313982D+01  0.679930D+01
      4  -0.160915D+02 -0.200090D+02 -0.516923D+01 -0.134996D+02 -0.176483D+01
      5  -0.155102D+02 -0.712430D+01 -0.103479D+02 -0.489104D+01 -0.368620D+01
      6  -0.200909D+01 -0.838764D+01 -0.596739D+01 -0.409930D+00 -0.442610D+00
                36            37            38            39            40 
      1  -0.276902D+01 -0.112105D+02 -0.135498D+02  0.411396D+01 -0.220372D+02
      2   0.224974D+00  0.812696D+01  0.636701D+01  0.557675D+00  0.119111D+02
      3   0.254405D+01  0.308351D+01  0.718275D+01 -0.467164D+01  0.101261D+02
      4  -0.330705D+01 -0.170268D+02  0.755505D+01  0.490613D+01  0.991533D+01
      5   0.280347D+01  0.496181D+01  0.529733D+01  0.481309D+01  0.112480D+02
      6  -0.695624D+01  0.455076D+01 -0.353670D+00 -0.321316D+01 -0.118221D+01
                41            42            43            44            45 
      1  -0.278722D+01  0.376708D+01  0.252474D+01  0.137294D+01 -0.357101D+01
      2   0.703807D+01 -0.430349D+01 -0.803960D+00 -0.782273D+00 -0.729018D+01
      3  -0.425084D+01  0.536409D+00 -0.172078D+01 -0.590665D+00  0.108612D+02
      4  -0.144029D+02 -0.470325D+01  0.712191D+01 -0.488000D+01 -0.663135D+01
      5  -0.286861D+01 -0.788302D+01  0.899176D+01 -0.625013D+01 -0.142951D+02
      6   0.387196D+01  0.618235D+01 -0.327134D+01  0.558233D+01  0.332530D+01
                46            47            48            49            50 
      1   0.117199D+02  0.809646D+01 -0.103724D+02  0.712720D+01 -0.311564D+01
      2  -0.145725D+01 -0.173970D+00  0.371355D+01 -0.116741D+00  0.933483D+01
      3  -0.102627D+02 -0.792249D+01  0.665882D+01 -0.701046D+01 -0.621919D+01
      4   0.641562D+01 -0.145916D+02  0.816213D+01 -0.156838D+02 -0.678737D+00
      5  -0.439905D+01  0.104230D+02 -0.124532D+02  0.951348D+01 -0.187865D+02
      6   0.160785D+02 -0.104724D+02 -0.117331D+01 -0.117704D+02 -0.330714D+01
                51            52            53            54            55 
      1   0.130764D+01 -0.933578D+01  0.488663D-02 -0.770062D+01  0.115745D+02
      2   0.383982D+01  0.261857D+01  0.396086D+01 -0.547542D+01 -0.106829D+02
      3  -0.514746D+01  0.671721D+01 -0.396575D+01  0.131760D+02 -0.891583D+00
      4  -0.119377D+02  0.639929D+01 -0.862325D+01 -0.148717D+01  0.545292D+01
      5  -0.583198D+00 -0.114955D+02 -0.237205D+01  0.100614D+02 -0.211197D+01
      6  -0.140969D+02 -0.708205D+00 -0.101280D+02 -0.288284D+01  0.424791D+01
                56            57            58            59            60 
      1  -0.105346D+02  0.722914D+00 -0.762772D+01 -0.107898D+02 -0.334833D+01
      2   0.175269D+02 -0.299243D+01  0.140009D+02  0.189332D+02  0.555044D+01
      3  -0.699236D+01  0.226952D+01 -0.637318D+01 -0.814340D+01 -0.220211D+01
      4  -0.329577D+01  0.308584D+01  0.328351D+01  0.132152D+02 -0.321269D+01
      5   0.200347D+01  0.269376D+01  0.590885D+00 -0.263990D+01  0.127111D+01
      6  -0.559104D+01  0.902400D+01 -0.493322D+01  0.492138D+01  0.152590D+01
                61            62            63            64            65 
      1   0.281275D+01 -0.115496D+01  0.186080D+01  0.174010D+02  0.657435D+01
      2  -0.330501D+01  0.590673D+01 -0.467450D+01 -0.650046D+01  0.115281D+01
      3   0.492261D+00 -0.475178D+01  0.281370D+01 -0.109005D+02 -0.772716D+01
      4   0.384851D+01 -0.277147D+01  0.796958D+01  0.177947D+02  0.198626D+02
      5   0.341637D+01  0.273400D+01 -0.125519D+01  0.129072D+02  0.839964D+01
      6   0.924195D+01 -0.144597D+01 -0.121258D+02  0.549826D+01  0.400029D+01
                66            67            68            69            70 
      1   0.389153D+01  0.978449D+01 -0.133252D+02 -0.495216D+01  0.600588D+01
      2  -0.347998D+01  0.265476D-01  0.298124D+02  0.173043D+01 -0.353984D+01
      3  -0.411553D+00 -0.981104D+01 -0.164872D+02  0.322173D+01 -0.246604D+01
      4   0.754374D+01  0.259412D+02  0.393153D+02  0.108037D+02  0.844237D+01
      5   0.147599D+02  0.104476D+02  0.135727D+02  0.149619D+02  0.150104D+02
      6   0.540385D+01  0.611637D+01  0.139501D+02  0.148216D+02  0.594142D+01
                71            72            73            74            75 
      1  -0.307444D+01 -0.527733D+01  0.138307D+01 -0.773297D-01 -0.303871D+00
      2   0.219925D+01 -0.305681D+01 -0.497772D+01  0.310083D+00  0.354643D+00
      3   0.875195D+00  0.833413D+01  0.359465D+01 -0.232754D+00 -0.507723D-01
      4   0.847046D+01  0.120659D+02 -0.629068D+00  0.120032D+01 -0.100639D+01
      5   0.127919D+02  0.168161D+02 -0.121279D+01 -0.370845D+00  0.584273D+01
      6   0.135090D+02  0.110268D+02 -0.111474D+01  0.144738D+00  0.229895D+00
                76            77            78            79            80 
      1   0.713808D+00 -0.393282D+01  0.469641D+00  0.119690D+01  0.270807D+01
      2   0.565395D+00  0.479927D+00 -0.135498D+01  0.592644D+00 -0.119068D+01
      3  -0.127920D+01  0.345290D+01  0.885340D+00 -0.178955D+01 -0.151738D+01
      4   0.265058D+01 -0.707798D-01 -0.158929D+00 -0.887263D-01  0.568377D+00
      5   0.155090D+00 -0.556081D+00 -0.188614D+00  0.534784D+01  0.502785D+00
      6   0.164412D+00 -0.121235D+01  0.668605D+01  0.200909D+00  0.521638D+01
                81            82            83            84            85 
      1  -0.196254D+02 -0.985577D+00 -0.297120D+01 -0.247668D+01 -0.413648D+01
      2  -0.165495D+02  0.395261D+01  0.348079D+01  0.206445D+01  0.419982D+01
      3   0.361749D+02 -0.296704D+01 -0.509590D+00  0.412225D+00 -0.633393D-01
      4  -0.259543D+00  0.155209D-01  0.335929D+01  0.112178D+01  0.238052D+01
      5  -0.449505D+00 -0.166151D+01  0.762922D+00  0.110226D+01  0.103061D+01
      6  -0.695653D+01  0.216237D+01  0.113260D+01  0.808425D+00  0.866503D+00
                86            87            88            89            90 
      1  -0.177133D+02 -0.293168D+01 -0.365360D+01 -0.407600D+01 -0.516630D+01
      2   0.285533D+02  0.579933D+01  0.225076D+01  0.460989D+01  0.350103D+01
      3  -0.108399D+02 -0.286766D+01  0.140283D+01 -0.533894D+00  0.166527D+01
      4  -0.111864D+02 -0.293593D+01  0.533936D+00 -0.293523D+01 -0.239753D+01
      5  -0.300746D+01 -0.373519D+01  0.209667D+01 -0.277993D+01 -0.680568D+00
      6   0.894426D+01  0.666127D+01  0.122924D+01  0.823329D+01  0.479892D+01
                91            92            93            94            95 
      1   0.428978D+02  0.546551D+01 -0.108307D+02  0.168925D+02  0.582830D+01
      2  -0.244478D+02 -0.347677D+01  0.741932D+01 -0.942901D+01 -0.269257D+01
      3  -0.184500D+02 -0.198874D+01  0.341142D+01 -0.746346D+01 -0.313573D+01
      4   0.474537D+01  0.588237D+01 -0.120706D+01  0.875796D+01  0.413230D+01
      5  -0.163502D+02 -0.164991D+01  0.966622D+01 -0.753513D+01 -0.343287D+01
      6  -0.267183D+01 -0.102749D+01  0.103547D+01 -0.320591D+01 -0.180628D+01
                96            97            98            99           100 
      1  -0.480744D+01 -0.500207D+01 -0.376235D+00  0.504788D+01 -0.256088D+01
      2   0.316276D+01  0.428340D+01  0.543525D+00 -0.456260D+01  0.811063D+01
      3   0.164468D+01  0.718674D+00 -0.167290D+00 -0.485277D+00 -0.554975D+01
      4  -0.297113D+01 -0.823221D+00 -0.168525D+01  0.763244D+00 -0.875630D+01
      5   0.447471D+01  0.908004D+01  0.119129D+01 -0.626477D+01  0.298786D+01
      6   0.189743D+01  0.786113D+00  0.112788D+01 -0.823164D+00 -0.591850D+01
               101           102           103           104           105 
      1   0.784527D+01 -0.234667D+01  0.624197D+01 -0.133701D+02  0.409796D+01
      2  -0.152878D+02  0.382495D+01 -0.115888D+02  0.242617D+02 -0.682587D+01
      3   0.744251D+01 -0.147827D+01  0.534678D+01 -0.108917D+02  0.272791D+01
      4   0.127954D+02 -0.489754D+01  0.106151D+02 -0.119379D+02  0.395569D+01
      5  -0.296459D+01  0.299415D+01 -0.150958D+01  0.257919D+01 -0.140549D+01
      6   0.754665D+01 -0.597883D+01  0.561758D+01 -0.101599D+02  0.720910D+01
               106           107           108           109           110 
      1  -0.355516D+01  0.623694D+01 -0.527791D+01 -0.148272D+01  0.160214D+01
      2   0.459380D+01 -0.850453D+01  0.483656D+01  0.187541D+01 -0.199273D+01
      3  -0.103864D+01  0.226759D+01  0.441354D+00 -0.392690D+00  0.390593D+00
      4  -0.554670D+01  0.551240D+01 -0.489635D+01  0.444005D+00  0.309801D+01
      5   0.301119D+01 -0.243652D+01  0.248863D+01 -0.124501D+01  0.517338D-01
      6  -0.626907D+01  0.102096D+02 -0.740393D+01  0.768499D+00 -0.212214D+01
               111           112           113           114           115 
      1   0.154640D+01  0.103250D+01 -0.329512D+01 -0.260963D+01  0.929337D+00
      2  -0.937323D+00 -0.111160D+01  0.445723D+01  0.309310D+01 -0.116524D+01
      3  -0.609078D+00  0.790971D-01 -0.116210D+01 -0.483467D+00  0.235906D+00
      4   0.891433D+00  0.290230D+01 -0.899073D+00 -0.100259D+01  0.306948D+01
      5   0.168819D+01  0.969446D-01 -0.272077D+00 -0.296377D+00  0.144123D+01
      6  -0.322221D+01 -0.134724D+01  0.340454D+01  0.611774D+01 -0.314372D+01
               116           117           118           119           120 
      1  -0.568569D+01 -0.760739D+01  0.225441D+01  0.212763D+01  0.200376D+01
      2   0.727667D+01  0.158513D+01 -0.342000D+01 -0.278896D+01 -0.370430D+01
      3  -0.159098D+01  0.602227D+01  0.116558D+01  0.661325D+00  0.170054D+01
      4  -0.161276D+01 -0.284515D+01  0.350231D+01  0.659928D+01  0.153059D+01
      5  -0.779279D+00 -0.965525D+00  0.642358D+01  0.415461D+01  0.807944D+01
      6   0.766737D+01  0.196548D+02  0.213577D+01  0.519625D+01  0.233437D+01
               121           122           123           124           125 
      1   0.338579D+01 -0.309538D+01 -0.509211D+01  0.109081D+01 -0.322274D+01
      2  -0.407301D+01 -0.118826D+01 -0.680845D+01 -0.273511D+01 -0.433902D+01
      3   0.687227D+00  0.428364D+01  0.119006D+02  0.164430D+01  0.756176D+01
      4   0.639035D+01  0.126358D+02  0.706585D+01  0.937347D+00  0.482372D+01
      5   0.669753D+01  0.106325D+02  0.105566D+02  0.625584D+01  0.623507D+01
      6   0.552590D+01  0.176168D+02  0.107786D+02  0.236866D+01  0.979483D+01
               126           127           128           129           130 
      1  -0.459817D+01 -0.952032D+01 -0.572832D+01  0.123217D+02 -0.491991D+01
      2  -0.561803D+01  0.751472D+00  0.266920D+01  0.206544D+01  0.277909D+01
      3   0.102162D+02  0.876884D+01  0.305912D+01 -0.143871D+02  0.214082D+01
      4   0.472641D+01  0.601850D+01  0.374740D+01 -0.325341D+01  0.444092D+01
      5   0.787795D+01 -0.137556D+02 -0.395747D+01  0.617126D+01 -0.421317D+01
      6   0.767850D+01 -0.752760D+01 -0.568499D+01  0.705437D+01 -0.394505D+01
               131           132           133           134           135 
      1  -0.510595D+01  0.453688D+01  0.897934D+01  0.392331D+01 -0.110553D+02
      2   0.247230D+01 -0.129271D+01  0.143770D+01 -0.747235D+00 -0.338379D+01
      3   0.263366D+01 -0.324417D+01 -0.104170D+02 -0.317607D+01  0.144391D+02
      4   0.139767D+01  0.589580D+00 -0.247718D+01  0.101884D-01  0.220769D+01
      5  -0.144376D+00  0.992223D+00  0.745415D+01  0.150780D+01 -0.504939D+01
      6  -0.488779D+01  0.733134D+01  0.484301D+01  0.618737D+01 -0.622612D+01
               136           137           138           139           140 
      1   0.120493D+02 -0.485211D+01  0.242791D+01 -0.491367D+01 -0.217419D+01
      2  -0.702244D+01  0.157764D+00 -0.551245D+01 -0.324348D+00  0.638282D+01
      3  -0.502690D+01  0.469435D+01  0.308454D+01  0.523802D+01 -0.420862D+01
      4  -0.166076D+02  0.148054D+02 -0.855226D+01  0.156296D+02 -0.173564D+02
      5   0.192453D+02 -0.120283D+02  0.158897D+02 -0.126350D+02  0.135990D+02
      6  -0.115672D+02  0.110973D+02 -0.835764D+01  0.110993D+02 -0.158390D+02
               141           142           143           144           145 
      1   0.321088D+01  0.128707D+01  0.219956D+01 -0.156806D+01  0.104605D+02
      2   0.298314D+00 -0.404369D+01  0.109556D+01 -0.390669D+01 -0.209274D+01
      3  -0.350920D+01  0.275662D+01 -0.329512D+01  0.547474D+01 -0.836776D+01
      4   0.973980D+01 -0.542345D+01  0.618805D+01 -0.738198D+01  0.851753D+01
      5  -0.108013D+02  0.121070D+02 -0.795621D+01  0.111211D+02  0.217240D+01
      6   0.133345D+02 -0.650106D+01  0.998247D+01 -0.920678D+01 -0.741970D+00
               146           147           148           149           150 
      1   0.751759D+01  0.312725D+01  0.146499D+02  0.853836D+01  0.566909D-01
      2  -0.191464D+01 -0.105225D+01 -0.506627D+01  0.572326D+01  0.174523D+01
      3  -0.560295D+01 -0.207500D+01 -0.958368D+01 -0.142616D+02 -0.180192D+01
      4   0.134244D+02  0.122361D+01  0.171055D+02  0.326953D+02  0.352663D+01
      5   0.358680D+00  0.215451D+01 -0.170791D+01  0.323949D+01  0.797653D+01
      6  -0.157272D+01  0.336966D+00 -0.154435D+01 -0.459917D+01  0.218547D+01
               151           152           153           154           155 
      1   0.758717D+01  0.159566D+01  0.140733D+00  0.503728D+02 -0.182530D+02
      2  -0.291068D+01  0.625703D+00 -0.127365D+01 -0.208909D+02  0.585869D+01
      3  -0.467649D+01 -0.222136D+01  0.113291D+01 -0.294819D+02  0.123943D+02
      4   0.231132D+01  0.630440D+01  0.478357D+01 -0.249213D+02  0.182973D+02
      5   0.360462D+01  0.529530D+01 -0.352570D-01  0.246817D+01 -0.724909D+00
      6   0.106867D+01  0.237322D+01  0.106545D+01  0.184513D+01 -0.181466D+01
               156           157           158           159           160 
      1   0.696769D+01 -0.258446D+02  0.142439D+02 -0.199618D+01  0.151614D+02
      2  -0.237426D+01  0.848555D+01 -0.813915D-02 -0.516272D+00 -0.607613D+01
      3  -0.459343D+01  0.173591D+02 -0.142357D+02  0.251245D+01 -0.908528D+01
      4  -0.294985D+01  0.241707D+02 -0.198599D+02  0.444031D+01 -0.653118D+01
      5   0.785199D+01  0.333085D+00  0.253075D+01 -0.706601D+01  0.862051D+01
      6  -0.128960D+01 -0.194844D+01  0.115610D+01  0.224233D+01 -0.174424D+01
               161           162           163           164           165 
      1  -0.372847D+01  0.516961D+01  0.143142D+01 -0.191128D+01 -0.557054D+01
      2   0.495628D+00 -0.387676D+01 -0.352830D+01  0.911587D+00  0.362935D+01
      3   0.323284D+01 -0.129285D+01  0.209688D+01  0.999691D+00  0.194119D+01
      4   0.667683D+01 -0.566341D+01 -0.180525D+01  0.273990D+01  0.294880D+00
      5  -0.503040D+01  0.248493D+01 -0.504126D+01  0.266011D+00  0.791736D+01
      6   0.173909D+01 -0.881590D+00  0.851324D+00 -0.134015D+00  0.208360D+00
               166           167           168           169           170 
      1  -0.276243D+01  0.298172D+00 -0.103945D+01 -0.770091D+01 -0.818441D+00
      2   0.121021D+01 -0.127517D+01  0.285071D+00  0.877659D+01  0.288539D+00
      3   0.155222D+01  0.976999D+00  0.754381D+00 -0.107568D+01  0.529902D+00
      4   0.510383D+01  0.685539D+00 -0.491204D+01  0.486636D+00 -0.534395D+01
      5   0.753067D+00 -0.453617D+01 -0.155422D+01  0.165995D+02 -0.888095D+00
      6  -0.151442D+01  0.100109D+01  0.680338D+01 -0.144464D+01  0.632627D+01
               171 
      1  -0.120774D+02
      2  -0.210439D+02
      3   0.331214D+02
      4  -0.189084D+01
      5  -0.477166D+02
      6   0.559531D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:55:03 2021, MaxMem=  5368709120 cpu:            6703.1 elap:             840.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52339 -19.46566 -14.60751 -10.58587 -10.48674
 Alpha  occ. eigenvalues --  -10.44954 -10.43145 -10.42291  -1.25199  -1.14926
 Alpha  occ. eigenvalues --   -1.03679  -0.93089  -0.84032  -0.81794  -0.75727
 Alpha  occ. eigenvalues --   -0.68791  -0.64252  -0.63740  -0.61545  -0.58866
 Alpha  occ. eigenvalues --   -0.56071  -0.55255  -0.53438  -0.52915  -0.49649
 Alpha  occ. eigenvalues --   -0.48657  -0.46122  -0.44445  -0.43796  -0.43492
 Alpha  occ. eigenvalues --   -0.42757  -0.35758
 Alpha virt. eigenvalues --    0.02961   0.06245   0.06478   0.07390   0.07816
 Alpha virt. eigenvalues --    0.08681   0.10482   0.11098   0.11744   0.12412
 Alpha virt. eigenvalues --    0.14558   0.15158   0.15849   0.17069   0.17787
 Alpha virt. eigenvalues --    0.18579   0.19689   0.20357   0.21691   0.22195
 Alpha virt. eigenvalues --    0.22582   0.23789   0.24370   0.24839   0.25704
 Alpha virt. eigenvalues --    0.27156   0.27899   0.28510   0.29301   0.29822
 Alpha virt. eigenvalues --    0.31832   0.32282   0.32779   0.34010   0.34420
 Alpha virt. eigenvalues --    0.34837   0.35575   0.35989   0.36329   0.37610
 Alpha virt. eigenvalues --    0.38027   0.38322   0.38744   0.38762   0.39904
 Alpha virt. eigenvalues --    0.40487   0.40840   0.41758   0.42441   0.42659
 Alpha virt. eigenvalues --    0.43378   0.44007   0.44154   0.45039   0.45672
 Alpha virt. eigenvalues --    0.46648   0.47012   0.47475   0.48902   0.49415
 Alpha virt. eigenvalues --    0.50080   0.51248   0.51517   0.52558   0.53538
 Alpha virt. eigenvalues --    0.54049   0.54896   0.55596   0.56039   0.56604
 Alpha virt. eigenvalues --    0.56972   0.57652   0.57860   0.58398   0.59837
 Alpha virt. eigenvalues --    0.60679   0.61177   0.61796   0.62340   0.63642
 Alpha virt. eigenvalues --    0.64093   0.64725   0.65673   0.66750   0.67468
 Alpha virt. eigenvalues --    0.68299   0.69311   0.70910   0.72149   0.72570
 Alpha virt. eigenvalues --    0.74393   0.74615   0.75478   0.76007   0.76726
 Alpha virt. eigenvalues --    0.78320   0.79521   0.80934   0.81568   0.82888
 Alpha virt. eigenvalues --    0.84902   0.86581   0.87910   0.88632   0.89489
 Alpha virt. eigenvalues --    0.94196   0.94421   1.00199   1.02043   1.03044
 Alpha virt. eigenvalues --    1.03878   1.05793   1.08561   1.09737   1.10862
 Alpha virt. eigenvalues --    1.11088   1.12140   1.13321   1.14002   1.14358
 Alpha virt. eigenvalues --    1.16266   1.19390   1.23194   1.24034   1.27759
 Alpha virt. eigenvalues --    1.29008   1.29502   1.31950   1.32534   1.36036
 Alpha virt. eigenvalues --    1.38277   1.41223   1.43686   1.44690   1.48464
 Alpha virt. eigenvalues --    1.49837   1.52432   1.55939   1.56506   1.57591
 Alpha virt. eigenvalues --    1.58866   1.64357   1.65666   1.69679   1.71462
 Alpha virt. eigenvalues --    1.74102   1.75543   1.78883   1.80380   1.83640
 Alpha virt. eigenvalues --    1.85194   1.86799   1.87699   1.90493   1.93455
 Alpha virt. eigenvalues --    1.94609   1.95787   1.97164   1.98138   1.98766
 Alpha virt. eigenvalues --    2.01629   2.03467   2.04559   2.07233   2.09055
 Alpha virt. eigenvalues --    2.09456   2.11787   2.12302   2.14105   2.14719
 Alpha virt. eigenvalues --    2.16388   2.18957   2.20345   2.21459   2.24128
 Alpha virt. eigenvalues --    2.25646   2.27640   2.28322   2.32297   2.33974
 Alpha virt. eigenvalues --    2.34792   2.36939   2.38513   2.41862   2.42871
 Alpha virt. eigenvalues --    2.47654   2.48659   2.50045   2.52712   2.55374
 Alpha virt. eigenvalues --    2.59671   2.62391   2.66711   2.69949   2.73256
 Alpha virt. eigenvalues --    2.75433   2.76029   2.78315   2.87134   2.94950
 Alpha virt. eigenvalues --    2.95697   2.96834   3.00702   3.06810   3.07810
 Alpha virt. eigenvalues --    3.08670   3.08994   3.11309   3.17027   3.19143
 Alpha virt. eigenvalues --    3.21913   3.25748   3.26032   3.28432   3.32861
 Alpha virt. eigenvalues --    3.34589   3.45656   3.50023   3.67017   3.69775
 Alpha virt. eigenvalues --    3.87717   4.00319
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.294065   0.339832   0.004415   0.013279   0.000626  -0.027329
     2  C    0.339832   5.453241   0.416885  -0.095109  -0.006535   0.431230
     3  C    0.004415   0.416885   5.644570  -0.153125  -0.130747  -0.015183
     4  C    0.013279  -0.095109  -0.153125   5.416267   0.234774  -0.028309
     5  O    0.000626  -0.006535  -0.130747   0.234774   8.022728  -0.009253
     6  C   -0.027329   0.431230  -0.015183  -0.028309  -0.009253   4.178073
     7  N    0.031183  -0.190240  -0.061992   0.081437   0.023141  -0.053116
     8  O    0.007441  -0.026345  -0.045507   0.606377  -0.045769   0.001521
     9  H   -0.081778   0.080031   0.217442  -0.074494  -0.005483   0.027174
    10  H   -0.085879   0.309968  -0.073811  -0.036754   0.000495  -0.025114
    11  H    0.000166   0.001878   0.008946   0.066759   0.213524   0.001206
    12  H    0.002798   0.013102   0.176705   0.002095  -0.023887   0.006101
    13  H   -0.014084  -0.013328   0.210022  -0.125719   0.023044   0.007611
    14  H   -0.013569   0.119441   0.000451  -0.026425  -0.003714   0.240314
    15  H    0.009204   0.063894  -0.059500   0.036028  -0.006259   0.298404
    16  H   -0.007767   0.104203   0.016754   0.014654  -0.002224   0.163722
    17  H    0.155761   0.170156  -0.032054  -0.002510  -0.000253  -0.019600
    18  H    0.174037   0.158124   0.010613  -0.002372   0.000273  -0.025295
    19  H    0.394812  -0.040745  -0.005415   0.013720  -0.000221   0.011059
               7          8          9         10         11         12
     1  C    0.031183   0.007441  -0.081778  -0.085879   0.000166   0.002798
     2  C   -0.190240  -0.026345   0.080031   0.309968   0.001878   0.013102
     3  C   -0.061992  -0.045507   0.217442  -0.073811   0.008946   0.176705
     4  C    0.081437   0.606377  -0.074494  -0.036754   0.066759   0.002095
     5  O    0.023141  -0.045769  -0.005483   0.000495   0.213524  -0.023887
     6  C   -0.053116   0.001521   0.027174  -0.025114   0.001206   0.006101
     7  N    7.473055   0.004355  -0.040092   0.037584  -0.002361  -0.185507
     8  O    0.004355   7.813225  -0.046206  -0.056135  -0.041024  -0.001174
     9  H   -0.040092  -0.046206   0.895495   0.045128   0.002367  -0.015744
    10  H    0.037584  -0.056135   0.045128   1.135644   0.000162  -0.007659
    11  H   -0.002361  -0.041024   0.002367   0.000162   0.549759   0.000737
    12  H   -0.185507  -0.001174  -0.015744  -0.007659   0.000737   0.947699
    13  H   -0.136859  -0.006453   0.036839  -0.000138  -0.000183  -0.012546
    14  H   -0.049668   0.002226  -0.003407  -0.019015  -0.000499   0.005720
    15  H   -0.001872   0.002046  -0.002575  -0.007203  -0.001932   0.001220
    16  H    0.011777  -0.000646  -0.004680   0.009473   0.000057  -0.000013
    17  H   -0.022701   0.000342   0.009521   0.009976   0.000043   0.000948
    18  H   -0.003070  -0.001292   0.009390   0.023337  -0.000002  -0.000143
    19  H    0.010521   0.003407  -0.036608  -0.039328  -0.000027   0.001136
              13         14         15         16         17         18
     1  C   -0.014084  -0.013569   0.009204  -0.007767   0.155761   0.174037
     2  C   -0.013328   0.119441   0.063894   0.104203   0.170156   0.158124
     3  C    0.210022   0.000451  -0.059500   0.016754  -0.032054   0.010613
     4  C   -0.125719  -0.026425   0.036028   0.014654  -0.002510  -0.002372
     5  O    0.023044  -0.003714  -0.006259  -0.002224  -0.000253   0.000273
     6  C    0.007611   0.240314   0.298404   0.163722  -0.019600  -0.025295
     7  N   -0.136859  -0.049668  -0.001872   0.011777  -0.022701  -0.003070
     8  O   -0.006453   0.002226   0.002046  -0.000646   0.000342  -0.001292
     9  H    0.036839  -0.003407  -0.002575  -0.004680   0.009521   0.009390
    10  H   -0.000138  -0.019015  -0.007203   0.009473   0.009976   0.023337
    11  H   -0.000183  -0.000499  -0.001932   0.000057   0.000043  -0.000002
    12  H   -0.012546   0.005720   0.001220  -0.000013   0.000948  -0.000143
    13  H    0.980179   0.021434  -0.015366  -0.001479  -0.005659   0.001466
    14  H    0.021434   0.792401  -0.009923  -0.068131   0.023340  -0.023320
    15  H   -0.015366  -0.009923   0.931084  -0.154405   0.001450   0.004092
    16  H   -0.001479  -0.068131  -0.154405   0.935623  -0.026074   0.006398
    17  H   -0.005659   0.023340   0.001450  -0.026074   0.752473   0.006922
    18  H    0.001466  -0.023320   0.004092   0.006398   0.006922   0.831528
    19  H   -0.001778  -0.001919  -0.002340   0.010936  -0.096685  -0.118892
              19
     1  C    0.394812
     2  C   -0.040745
     3  C   -0.005415
     4  C    0.013720
     5  O   -0.000221
     6  C    0.011059
     7  N    0.010521
     8  O    0.003407
     9  H   -0.036608
    10  H   -0.039328
    11  H   -0.000027
    12  H    0.001136
    13  H   -0.001778
    14  H   -0.001919
    15  H   -0.002340
    16  H    0.010936
    17  H   -0.096685
    18  H   -0.118892
    19  H    0.849627
 Mulliken charges:
               1
     1  C    0.802787
     2  C   -1.289682
     3  C   -0.129469
     4  C    0.059427
     5  O   -0.284258
     6  C    0.836783
     7  N    0.074427
     8  O   -0.170390
     9  H   -0.012320
    10  H   -0.220731
    11  H    0.200426
    12  H    0.088413
    13  H    0.052996
    14  H    0.014264
    15  H   -0.086047
    16  H   -0.008178
    17  H    0.074606
    18  H   -0.051794
    19  H    0.048741
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.874340
     2  C   -1.510412
     3  C   -0.141789
     4  C    0.059427
     5  O   -0.083832
     6  C    0.756821
     7  N    0.215836
     8  O   -0.170390
 Electronic spatial extent (au):  <R**2>=           1051.9842
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.4836    Y=              1.1148    Z=              1.0718  Tot=              1.6203
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.6749   YY=            -53.3079   ZZ=            -48.9332
   XY=             -5.5293   XZ=             -2.6349   YZ=             -2.7673
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.2971   YY=             -3.3359   ZZ=              1.0388
   XY=             -5.5293   XZ=             -2.6349   YZ=             -2.7673
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -34.6979  YYY=              8.6784  ZZZ=             -1.5932  XYY=             -2.8282
  XXY=              0.0688  XXZ=             11.8066  XZZ=             -4.7225  YZZ=              4.2418
  YYZ=              3.8476  XYZ=              7.2679
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -718.6237 YYYY=           -303.2677 ZZZZ=           -258.2140 XXXY=             -6.7396
 XXXZ=            -32.5658 YYYX=            -25.3156 YYYZ=             -1.3159 ZZZX=             -7.0653
 ZZZY=              1.3785 XXYY=           -200.9799 XXZZ=           -173.3550 YYZZ=            -92.0783
 XXYZ=            -12.1313 YYXZ=              0.4370 ZZXY=             -2.4494
 N-N= 4.077550570018D+02 E-N=-1.751611381757D+03  KE= 3.973367329831D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:55:04 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.15179232D-01 4.45633264D-01 4.10580196D-01
 Polarizability= 8.21626208D+01 1.97498350D-01 7.14152288D+01
                -2.30729257D+00 1.72901418D+00 6.96613793D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.9914    0.9889        0.4351    0.4299
 2     -0.9914   -0.9889       -0.9302   -0.9274       -5.2216   -5.2214
 3     -0.4351   -0.4299        6.5096    6.5165        0.9282    0.9274
 4      0.9302    0.9274       -0.0000    0.0000       -0.4340   -0.4299
 5     -1.2880   -1.2952        0.4340    0.4299        0.9926    0.9889
 6     -0.9282   -0.9274       -0.9926   -0.9889       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.9666   -2.9666        1.2898    1.2898
 2      2.7821    2.7821        0.0000    0.0000        1.2898    1.2898
 3      2.7821    2.7821       -2.9666   -2.9666       -0.0000    0.0000
 4     -2.9666   -2.9666       -2.7821   -2.7821      -15.6641  -15.6641
 5     -1.2898   -1.2898       19.5496   19.5496        2.7821    2.7821
 6     -3.8855   -3.8855        1.2898    1.2898        2.9666    2.9666
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1207    0.0000       -4.0189   -3.9554       -1.3683   -1.7197
 2      4.4596    3.9554        3.6354    3.7095       21.1348   20.8855
 3      1.9798    1.7197      -25.7867  -26.0661       -3.7839   -3.7095
 4     -3.5915   -3.7095       -0.1240    0.0000        1.5398    1.7197
 5      5.0614    5.1806       -1.6819   -1.7197       -4.1418   -3.9554
 6      3.6305    3.7095        3.9848    3.9554       -0.0215    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0235    0.0000        7.2978    6.9426       -4.9141   -4.4494
 2     -7.0390   -6.9426        8.0875    7.9933       13.2180   13.4705
 3      4.0754    4.4494       16.6075   16.2936       -8.2097   -7.9933
 4     -8.2598   -7.9933       -0.2270    0.0000        4.3416    4.4494
 5    -29.6160  -29.7641       -4.2949   -4.4494        7.5025    6.9426
 6      8.2976    7.9933       -7.1375   -6.9426        0.5798    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.2622   -7.2237       12.8114   13.4310        9.4841    9.0018
 2    -22.6889  -22.3115       16.8500   16.9382        8.3600    9.0018
 3    -22.6404  -22.3115       12.9271   13.4310       14.2696   14.3155
 4     -3.8110   -3.5072       15.2872   15.0879       19.9925   20.4214
 5      4.9519    5.3136       37.7212   36.9353      -15.5347  -15.0879
 6    -56.8139  -57.3567       -5.0384   -5.3136        4.4564    3.5072
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.6631   -0.0003    0.0002    0.0008    2.8052    3.8533
 Low frequencies ---   39.2409   76.5673  177.9153
 Diagonal vibrational polarizability:
       23.3408449      18.6359899      37.6192271
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     39.2342                76.5652               177.9152
 Red. masses --      6.6756                 2.9674                 3.6021
 Frc consts  --      0.0061                 0.0102                 0.0672
 IR Inten    --      1.3583                 0.1549                 0.5357
 RamAct Fr= 1--      0.8602                 0.4282                 0.5691
  Dep-P Fr= 1--      0.7438                 0.7458                 0.6308
  Dep-U Fr= 1--      0.8531                 0.8544                 0.7736
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0012
 Beta2  Fr= 1--      0.1223                 0.0610                 0.0734
 AlphaG Fr= 1--     -0.0011                -0.0002                -0.0033
 Gamma2 Fr= 1--      0.0386                 0.1155                 0.1118
 Delta2 Fr= 1--     -0.0166                 0.0292                 0.0889
 Raman1 Fr= 1--       3.441                  1.713                  2.276
 ROA1   Fr= 1--       3.174                 12.025                 13.573
 CID1   Fr= 1--       0.922                  7.020                  5.962
 Raman2 Fr= 1--       1.468                  0.732                  0.881
 ROA2   Fr= 1--       1.059                  2.539                  1.971
 CID2   Fr= 1--       0.721                  3.470                  2.239
 Raman3 Fr= 1--       2.935                  1.464                  1.761
 ROA3   Fr= 1--       3.174                 12.025                 13.573
 CID3   Fr= 1--       1.081                  8.216                  7.707
 RC180  Fr= 1--       0.706                  0.709                  0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06  -0.06    -0.05  -0.16  -0.13    -0.02  -0.17  -0.01
     2   6     0.01  -0.01  -0.08    -0.01  -0.00   0.06    -0.10   0.04  -0.07
     3   6    -0.00   0.04   0.05     0.00   0.02   0.08    -0.01   0.15  -0.06
     4   6     0.00   0.01   0.05    -0.01  -0.00  -0.03     0.06   0.03  -0.00
     5   8    -0.20   0.23  -0.29    -0.10  -0.03  -0.08     0.04  -0.09   0.07
     6   6     0.03  -0.18  -0.09     0.15   0.17   0.05    -0.21   0.04  -0.06
     7   7     0.02   0.00   0.14    -0.01  -0.01   0.17     0.00   0.12   0.02
     8   8     0.16  -0.17   0.29     0.04   0.01  -0.09     0.21  -0.06   0.07
     9   1    -0.05   0.13   0.04     0.04   0.09   0.08    -0.03   0.20  -0.06
    10   1     0.01   0.03  -0.19    -0.11  -0.02   0.19    -0.22   0.08  -0.07
    11   1    -0.19   0.21  -0.29    -0.11  -0.04  -0.16     0.15  -0.23   0.16
    12   1    -0.03   0.04   0.26     0.02   0.03   0.17     0.02   0.16   0.05
    13   1     0.10  -0.08   0.17    -0.06  -0.06   0.16     0.00   0.07   0.03
    14   1     0.03  -0.22   0.02     0.33   0.18  -0.10    -0.02  -0.02  -0.05
    15   1     0.03  -0.23  -0.11     0.15   0.36   0.19    -0.30   0.25  -0.13
    16   1     0.03  -0.22  -0.17     0.08   0.11   0.06    -0.40  -0.13   0.00
    17   1     0.01   0.03   0.06     0.01  -0.12  -0.33     0.14  -0.20  -0.02
    18   1     0.01   0.02  -0.16    -0.03  -0.12  -0.08    -0.14  -0.29   0.04
    19   1    -0.02   0.20  -0.07    -0.14  -0.36  -0.12     0.01  -0.20  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    212.9229               220.2118               262.8489
 Red. masses --      1.0661                 1.1037                 1.8168
 Frc consts  --      0.0285                 0.0315                 0.0740
 IR Inten    --      7.5512                23.7414                 3.6001
 RamAct Fr= 1--      0.1450                 0.1113                 0.4087
  Dep-P Fr= 1--      0.4263                 0.7409                 0.2634
  Dep-U Fr= 1--      0.5978                 0.8512                 0.4169
 Alpha2 Fr= 1--      0.0010                 0.0000                 0.0047
 Beta2  Fr= 1--      0.0145                 0.0158                 0.0284
 AlphaG Fr= 1--      0.0004                -0.0004                -0.0076
 Gamma2 Fr= 1--      0.0271                -0.0511                -0.0608
 Delta2 Fr= 1--      0.0321                 0.0462                -0.0367
 Raman1 Fr= 1--       0.580                  0.445                  1.635
 ROA1   Fr= 1--       3.628                 -3.427                 -7.010
 CID1   Fr= 1--       6.253                 -7.701                 -4.288
 Raman2 Fr= 1--       0.173                  0.189                  0.341
 ROA2   Fr= 1--       0.394                 -1.596                 -1.165
 CID2   Fr= 1--       2.272                 -8.428                 -3.418
 Raman3 Fr= 1--       0.347                  0.379                  0.682
 ROA3   Fr= 1--       3.628                 -3.427                 -7.010
 CID3   Fr= 1--      10.461                 -9.047                -10.284
 RC180  Fr= 1--       0.196                  0.702                 -0.166
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.01     0.02  -0.01   0.02    -0.03   0.01   0.01
     2   6     0.01   0.00  -0.01     0.00   0.02   0.01    -0.01   0.00   0.05
     3   6     0.00  -0.01  -0.02    -0.01  -0.00  -0.00    -0.01   0.03   0.05
     4   6    -0.00  -0.01  -0.00    -0.01  -0.01   0.01    -0.01   0.03   0.03
     5   8     0.02   0.01  -0.00    -0.02  -0.01  -0.00    -0.08  -0.03   0.02
     6   6    -0.02  -0.01  -0.01     0.03   0.02   0.01     0.10  -0.12   0.04
     7   7     0.00  -0.02   0.00    -0.01   0.01  -0.06    -0.01   0.08  -0.11
     8   8    -0.02  -0.00   0.01    -0.01   0.00  -0.02     0.05   0.02  -0.02
     9   1    -0.01  -0.00  -0.02    -0.02  -0.04  -0.00     0.00  -0.07   0.05
    10   1     0.03  -0.00  -0.02    -0.00   0.02   0.02    -0.05   0.03   0.00
    11   1     0.01   0.03   0.01    -0.03  -0.00  -0.03    -0.06  -0.07  -0.04
    12   1    -0.21  -0.05   0.24    -0.37  -0.08   0.30     0.17   0.05  -0.38
    13   1     0.30  -0.11   0.07     0.49  -0.06   0.05    -0.23   0.27  -0.18
    14   1     0.28  -0.09  -0.01     0.20  -0.03   0.02     0.48  -0.25   0.09
    15   1    -0.11   0.29  -0.02    -0.00   0.17   0.04     0.04   0.19   0.11
    16   1    -0.25  -0.23  -0.00    -0.08  -0.10  -0.01    -0.14  -0.43  -0.09
    17   1    -0.21   0.18  -0.28     0.23  -0.14   0.31    -0.05   0.02  -0.02
    18   1     0.09   0.30   0.32    -0.07  -0.26  -0.24    -0.01   0.04   0.01
    19   1     0.15  -0.32   0.03    -0.07   0.34   0.01    -0.06  -0.02   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    265.7551               295.0881               334.4582
 Red. masses --      1.3991                 3.1095                 3.2511
 Frc consts  --      0.0582                 0.1595                 0.2143
 IR Inten    --     10.2376                 3.9312                 3.3343
 RamAct Fr= 1--      0.0530                 0.3217                 1.1513
  Dep-P Fr= 1--      0.4691                 0.5035                 0.3559
  Dep-U Fr= 1--      0.6386                 0.6698                 0.5249
 Alpha2 Fr= 1--      0.0003                 0.0016                 0.0099
 Beta2  Fr= 1--      0.0056                 0.0359                 0.1007
 AlphaG Fr= 1--      0.0015                -0.0025                -0.0017
 Gamma2 Fr= 1--     -0.0300                 0.1552                -0.1496
 Delta2 Fr= 1--      0.0094                 0.1329                -0.1059
 Raman1 Fr= 1--       0.212                  1.287                  4.605
 ROA1   Fr= 1--      -2.575                 19.156                -17.752
 CID1   Fr= 1--     -12.139                 14.887                 -3.855
 Raman2 Fr= 1--       0.068                  0.431                  1.209
 ROA2   Fr= 1--      -0.794                  2.663                 -2.744
 CID2   Fr= 1--     -11.721                  6.179                 -2.270
 Raman3 Fr= 1--       0.135                  0.862                  2.417
 ROA3   Fr= 1--      -2.575                 19.156                -17.752
 CID3   Fr= 1--     -19.010                 22.227                 -7.343
 RC180  Fr= 1--       0.277                  0.340                  0.050
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.03    -0.14   0.14  -0.06    -0.19   0.05  -0.11
     2   6     0.01  -0.01  -0.04    -0.05  -0.05   0.02    -0.05  -0.02   0.12
     3   6     0.00  -0.03  -0.03    -0.01  -0.04   0.01     0.03  -0.02   0.00
     4   6    -0.00  -0.02  -0.02    -0.02   0.00   0.02     0.09  -0.01  -0.08
     5   8     0.05   0.03  -0.01    -0.08  -0.06   0.02     0.21   0.08  -0.06
     6   6    -0.01   0.06  -0.04    -0.09   0.07   0.02    -0.04  -0.07   0.14
     7   7    -0.03  -0.05   0.08     0.30  -0.08  -0.01    -0.10  -0.01   0.01
     8   8    -0.06  -0.02   0.03     0.05  -0.01  -0.01     0.06  -0.02  -0.02
     9   1     0.01   0.04  -0.03    -0.04  -0.06   0.01     0.17  -0.05   0.01
    10   1     0.04  -0.02  -0.03     0.02  -0.07   0.05    -0.06  -0.02   0.14
    11   1     0.05   0.05   0.04    -0.06  -0.11  -0.03     0.19   0.16   0.09
    12   1     0.25   0.03  -0.17     0.49   0.09  -0.03    -0.25  -0.10   0.08
    13   1    -0.43  -0.06  -0.00     0.33   0.00  -0.01    -0.07  -0.08   0.03
    14   1     0.35  -0.01  -0.13    -0.02   0.08  -0.05     0.01  -0.11   0.21
    15   1    -0.11   0.46  -0.01    -0.13   0.19   0.01    -0.06  -0.04   0.11
    16   1    -0.28  -0.20   0.03    -0.16   0.04   0.12    -0.10  -0.14   0.09
    17   1     0.09  -0.05   0.26    -0.24   0.13   0.04    -0.18   0.05  -0.12
    18   1    -0.01  -0.10  -0.12    -0.02   0.18  -0.25    -0.05   0.07  -0.39
    19   1     0.03   0.28   0.01    -0.28   0.29  -0.06    -0.51   0.14  -0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    395.1781               465.4944               570.4598
 Red. masses --      2.3729                 4.0234                 2.2409
 Frc consts  --      0.2183                 0.5137                 0.4297
 IR Inten    --      1.8310                 7.8585                38.9588
 RamAct Fr= 1--      0.5088                 3.8926                 1.3664
  Dep-P Fr= 1--      0.3166                 0.1887                 0.6963
  Dep-U Fr= 1--      0.4810                 0.3175                 0.8209
 Alpha2 Fr= 1--      0.0050                 0.0545                 0.0013
 Beta2  Fr= 1--      0.0408                 0.2060                 0.1870
 AlphaG Fr= 1--     -0.0258                 0.0354                 0.0193
 Gamma2 Fr= 1--      0.0982                 0.6742                -1.3270
 Delta2 Fr= 1--     -0.0784                -0.0612                 0.1744
 Raman1 Fr= 1--       2.035                 15.570                  5.466
 ROA1   Fr= 1--       6.921                 62.767               -121.817
 CID1   Fr= 1--       3.401                  4.031                -22.287
 Raman2 Fr= 1--       0.489                  2.472                  2.244
 ROA2   Fr= 1--       2.984                 16.671                -33.244
 CID2   Fr= 1--       6.097                  6.745                -14.818
 Raman3 Fr= 1--       0.979                  4.943                  4.487
 ROA3   Fr= 1--       6.921                 62.767               -121.817
 CID3   Fr= 1--       7.070                 12.697                -27.149
 RC180  Fr= 1--      -0.038                 -0.365                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.00   0.16    -0.05   0.00   0.05    -0.05  -0.01   0.03
     2   6    -0.15  -0.03  -0.02    -0.03  -0.19  -0.08    -0.04  -0.00  -0.04
     3   6    -0.06   0.05  -0.09    -0.01  -0.12   0.05    -0.00   0.02   0.14
     4   6    -0.03   0.03  -0.09     0.08   0.07   0.14     0.05  -0.15   0.09
     5   8     0.06   0.00  -0.02    -0.04   0.09   0.07     0.11  -0.01  -0.03
     6   6     0.15   0.01  -0.04    -0.01   0.05  -0.11    -0.01   0.01  -0.07
     7   7     0.04  -0.00   0.01    -0.13  -0.11  -0.03     0.03   0.11   0.00
     8   8     0.02  -0.05   0.02     0.23   0.14  -0.08    -0.06  -0.06  -0.05
     9   1     0.01   0.08  -0.08    -0.16  -0.16   0.04    -0.11   0.06   0.13
    10   1    -0.18  -0.03  -0.01    -0.02  -0.19  -0.08    -0.10   0.03  -0.08
    11   1     0.15  -0.07   0.20    -0.13   0.18  -0.14    -0.32   0.54  -0.51
    12   1     0.07   0.10   0.10    -0.30  -0.28  -0.03     0.03   0.04  -0.09
    13   1     0.10  -0.09   0.03    -0.13  -0.09  -0.03     0.13   0.32  -0.00
    14   1     0.20   0.04  -0.17    -0.01   0.16  -0.39    -0.01   0.05  -0.16
    15   1     0.32  -0.07   0.28     0.00   0.17  -0.01     0.00   0.05  -0.03
    16   1     0.34   0.10  -0.26     0.01   0.16   0.08     0.01   0.06  -0.04
    17   1    -0.23  -0.00   0.26    -0.28   0.01   0.22    -0.10  -0.01   0.06
    18   1    -0.16   0.03   0.30     0.03   0.10   0.07    -0.06   0.01   0.08
    19   1     0.10   0.05   0.15     0.09   0.15   0.05     0.02   0.01   0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    610.1755               652.1450               720.2142
 Red. masses --      2.7240                 1.7119                 2.8649
 Frc consts  --      0.5975                 0.4290                 0.8755
 IR Inten    --     26.0524                61.8391                41.4201
 RamAct Fr= 1--      0.5615                 2.5842                12.2975
  Dep-P Fr= 1--      0.7496                 0.0928                 0.0625
  Dep-U Fr= 1--      0.8569                 0.1698                 0.1176
 Alpha2 Fr= 1--      0.0000                 0.0460                 0.2358
 Beta2  Fr= 1--      0.0802                 0.0731                 0.2411
 AlphaG Fr= 1--      0.0002                 0.0531                 0.1427
 Gamma2 Fr= 1--      0.5195                 0.0015                -1.1768
 Delta2 Fr= 1--      0.3017                 0.0218                 0.0316
 Raman1 Fr= 1--       2.246                 10.337                 49.190
 ROA1   Fr= 1--      59.523                  0.843               -111.962
 CID1   Fr= 1--      26.502                  0.082                 -2.276
 Raman2 Fr= 1--       0.962                  0.878                  2.893
 ROA2   Fr= 1--      10.053                 -0.138                -28.496
 CID2   Fr= 1--      10.447                 -0.157                 -9.848
 Raman3 Fr= 1--       1.925                  1.756                  5.787
 ROA3   Fr= 1--      59.523                  0.843               -111.962
 CID3   Fr= 1--      30.927                  0.480                -19.348
 RC180  Fr= 1--       0.714                 -0.660                 -0.765
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.01     0.04  -0.00  -0.01    -0.09   0.00   0.04
     2   6    -0.04   0.21   0.01     0.03  -0.05  -0.01    -0.05   0.15  -0.01
     3   6    -0.14  -0.04  -0.03    -0.05  -0.01   0.12     0.06  -0.05   0.08
     4   6    -0.07  -0.06   0.05    -0.07  -0.06   0.00     0.18  -0.06   0.15
     5   8     0.03   0.10   0.06    -0.00   0.09  -0.03    -0.00  -0.03  -0.14
     6   6     0.00   0.01   0.02    -0.00  -0.00  -0.02    -0.01   0.03  -0.09
     7   7     0.02  -0.15  -0.00     0.01   0.06  -0.00     0.00  -0.08  -0.01
     8   8     0.11  -0.04  -0.10     0.02  -0.06  -0.09    -0.06   0.11   0.01
     9   1    -0.24  -0.09  -0.03    -0.05   0.02   0.12    -0.06  -0.10   0.07
    10   1     0.07   0.15   0.07     0.02  -0.04  -0.04    -0.03   0.14  -0.00
    11   1    -0.18   0.44   0.06     0.31  -0.17   0.82     0.39  -0.57   0.25
    12   1     0.28   0.08  -0.03     0.00   0.01  -0.05     0.02  -0.12  -0.08
    13   1     0.01  -0.15  -0.01     0.15   0.24   0.01    -0.00   0.01  -0.02
    14   1     0.05  -0.12   0.30    -0.04   0.05  -0.11     0.03  -0.05   0.08
    15   1     0.03  -0.13  -0.00    -0.04   0.07  -0.06     0.02  -0.07  -0.07
    16   1    -0.00  -0.12  -0.24    -0.03   0.04   0.13    -0.00  -0.05  -0.30
    17   1     0.32  -0.03  -0.12    -0.01   0.01   0.01     0.10  -0.03  -0.03
    18   1    -0.18  -0.18   0.10     0.06   0.03  -0.01    -0.25  -0.13   0.13
    19   1     0.06  -0.15   0.00     0.06   0.02  -0.01    -0.06  -0.11   0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    821.9905               834.1573               901.4464
 Red. masses --      2.0755                 3.3812                 2.1094
 Frc consts  --      0.8263                 1.3862                 1.0099
 IR Inten    --    105.5367                 4.2802                63.8798
 RamAct Fr= 1--      0.7143                 6.4413                 0.7313
  Dep-P Fr= 1--      0.7327                 0.0651                 0.7155
  Dep-U Fr= 1--      0.8457                 0.1223                 0.8342
 Alpha2 Fr= 1--      0.0002                 0.1227                 0.0004
 Beta2  Fr= 1--      0.1007                 0.1313                 0.1017
 AlphaG Fr= 1--     -0.0036                -0.0994                -0.0007
 Gamma2 Fr= 1--     -0.3156                 0.2811                -0.0099
 Delta2 Fr= 1--      0.0101                 0.1010                 0.1434
 Raman1 Fr= 1--       2.857                 25.765                  2.925
 ROA1   Fr= 1--     -29.973                 30.221                  3.634
 CID1   Fr= 1--     -10.490                  1.173                  1.243
 Raman2 Fr= 1--       1.208                  1.575                  1.220
 ROA2   Fr= 1--      -7.655                  5.940                 -1.386
 CID2   Fr= 1--      -6.336                  3.771                 -1.136
 Raman3 Fr= 1--       2.416                  3.150                  2.440
 ROA3   Fr= 1--     -29.973                 30.221                  3.634
 CID3   Fr= 1--     -12.404                  9.593                  1.490
 RC180  Fr= 1--       0.691                 -0.755                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.01  -0.04     0.07  -0.02  -0.05    -0.07  -0.06   0.07
     2   6    -0.01  -0.04  -0.02    -0.03  -0.08  -0.08     0.10   0.00   0.05
     3   6    -0.15   0.03   0.07    -0.08   0.07  -0.20     0.11   0.08  -0.09
     4   6     0.02   0.08  -0.03     0.12  -0.15   0.22     0.03  -0.07   0.04
     5   8     0.08  -0.06  -0.07    -0.02   0.03  -0.06    -0.06   0.05   0.05
     6   6    -0.00  -0.01   0.05    -0.01  -0.02   0.19     0.03   0.02  -0.08
     7   7    -0.11  -0.10  -0.01     0.01   0.07   0.01    -0.11  -0.05   0.00
     8   8     0.01   0.05   0.05    -0.03   0.04  -0.06    -0.01  -0.03  -0.03
     9   1    -0.16   0.06   0.07    -0.43   0.11  -0.22     0.17   0.10  -0.09
    10   1    -0.03  -0.02  -0.04    -0.09  -0.09  -0.01    -0.02   0.01   0.11
    11   1     0.10  -0.14  -0.20     0.06  -0.07   0.10    -0.05   0.05   0.07
    12   1     0.45   0.33  -0.13     0.08   0.26   0.15     0.42   0.40  -0.05
    13   1     0.55   0.32   0.06    -0.14  -0.24   0.01     0.43   0.09   0.07
    14   1    -0.01   0.03  -0.03     0.04  -0.00   0.11    -0.04  -0.03   0.07
    15   1    -0.01   0.04   0.07     0.06  -0.01   0.37    -0.04  -0.04  -0.28
    16   1     0.00   0.04   0.15     0.05   0.02   0.14    -0.04  -0.04  -0.03
    17   1     0.04   0.00   0.01    -0.18   0.01   0.08    -0.25   0.00   0.03
    18   1     0.06   0.02   0.00     0.21   0.14  -0.07     0.14   0.10  -0.12
    19   1     0.15   0.04  -0.04     0.15   0.15  -0.06    -0.31   0.02   0.07
                     19                     20                     21
                      A                      A                      A
 Frequencies --    939.5196               950.7170               974.6172
 Red. masses --      1.2931                 1.9895                 1.5450
 Frc consts  --      0.6725                 1.0595                 0.8646
 IR Inten    --     13.5562                 8.9767                 3.6334
 RamAct Fr= 1--      1.3363                 5.1320                 2.0699
  Dep-P Fr= 1--      0.5329                 0.6978                 0.7373
  Dep-U Fr= 1--      0.6953                 0.8220                 0.8488
 Alpha2 Fr= 1--      0.0056                 0.0047                 0.0004
 Beta2  Fr= 1--      0.1549                 0.7031                 0.2928
 AlphaG Fr= 1--     -0.0078                -0.0019                -0.0032
 Gamma2 Fr= 1--      0.5901                 0.3356                 0.1796
 Delta2 Fr= 1--      0.3421                -0.2391                 0.1020
 Raman1 Fr= 1--       5.345                 20.528                  8.280
 ROA1   Fr= 1--      67.597                 24.565                 20.505
 CID1   Fr= 1--      12.646                  1.197                  2.477
 Raman2 Fr= 1--       1.858                  8.437                  3.514
 ROA2   Fr= 1--      11.426                  9.967                  3.494
 CID2   Fr= 1--       6.148                  1.181                  0.994
 Raman3 Fr= 1--       3.717                 16.875                  7.028
 ROA3   Fr= 1--      67.597                 24.565                 20.505
 CID3   Fr= 1--      18.188                  1.456                  2.918
 RC180  Fr= 1--       0.391                  0.644                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.03     0.05  -0.01  -0.10    -0.12   0.04  -0.02
     2   6    -0.05   0.00   0.01    -0.11   0.03  -0.07     0.04   0.02  -0.09
     3   6     0.06   0.02  -0.01     0.17   0.03   0.05     0.04   0.02  -0.01
     4   6     0.01  -0.02   0.01     0.01  -0.02  -0.03     0.01  -0.01  -0.01
     5   8    -0.02   0.02   0.02    -0.04   0.03   0.05    -0.02   0.01   0.02
     6   6    -0.07  -0.06   0.01    -0.04   0.03   0.07     0.07  -0.05   0.09
     7   7    -0.02  -0.03  -0.00    -0.03  -0.08  -0.01    -0.01  -0.02  -0.01
     8   8    -0.01  -0.01  -0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.01
     9   1     0.13   0.04  -0.01     0.27   0.13   0.05     0.08   0.05  -0.01
    10   1     0.06   0.10  -0.33    -0.40   0.07   0.03     0.11   0.07  -0.28
    11   1    -0.02   0.01   0.02    -0.03   0.03   0.05    -0.01   0.00   0.01
    12   1     0.06   0.02  -0.04     0.01  -0.17  -0.16     0.03   0.01  -0.01
    13   1     0.09   0.03   0.01     0.14   0.15  -0.01     0.04  -0.00   0.00
    14   1     0.11   0.09  -0.46     0.05  -0.05   0.20    -0.14   0.09  -0.08
    15   1     0.10   0.13   0.48     0.05  -0.08   0.21    -0.09   0.14  -0.15
    16   1     0.16   0.16  -0.02     0.03  -0.02  -0.20    -0.04   0.06   0.57
    17   1     0.30   0.06  -0.25    -0.22  -0.02   0.21     0.15  -0.06   0.07
    18   1     0.01  -0.08  -0.14     0.06   0.13   0.12    -0.46  -0.20   0.28
    19   1    -0.27  -0.17   0.04     0.46   0.25  -0.12     0.23  -0.09  -0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1066.4707              1092.5092              1160.7584
 Red. masses --      1.5746                 1.6258                 2.3788
 Frc consts  --      1.0552                 1.1433                 1.8884
 IR Inten    --     41.5288                20.3666               134.9912
 RamAct Fr= 1--      4.0613                 4.0062                 1.0475
  Dep-P Fr= 1--      0.4295                 0.6122                 0.3416
  Dep-U Fr= 1--      0.6009                 0.7595                 0.5092
 Alpha2 Fr= 1--      0.0270                 0.0101                 0.0094
 Beta2  Fr= 1--      0.4067                 0.5071                 0.0889
 AlphaG Fr= 1--     -0.0227                -0.0132                 0.0115
 Gamma2 Fr= 1--      0.3676                -0.9229                -0.3331
 Delta2 Fr= 1--      0.6407                -0.3699                -0.5265
 Raman1 Fr= 1--      16.245                 16.025                  4.190
 ROA1   Fr= 1--      55.797               -100.434                -48.824
 CID1   Fr= 1--       3.435                 -6.267                -11.653
 Raman2 Fr= 1--       4.881                  6.085                  1.067
 ROA2   Fr= 1--       3.697                -19.190                 -3.782
 CID2   Fr= 1--       0.758                 -3.154                 -3.545
 Raman3 Fr= 1--       9.762                 12.171                  2.134
 ROA3   Fr= 1--      55.797               -100.434                -48.824
 CID3   Fr= 1--       5.716                 -8.252                -22.884
 RC180  Fr= 1--       0.202                  0.519                  0.018
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.05  -0.00    -0.03  -0.05   0.09     0.04   0.04   0.01
     2   6     0.03  -0.08  -0.06     0.07   0.02  -0.13    -0.06  -0.05   0.05
     3   6     0.03  -0.11  -0.04     0.01   0.07   0.03    -0.12   0.08   0.02
     4   6     0.02   0.00  -0.03    -0.04   0.02  -0.01     0.17  -0.06  -0.08
     5   8    -0.02   0.03   0.03     0.01  -0.02  -0.02    -0.05   0.12   0.11
     6   6    -0.05   0.06   0.03     0.00   0.03   0.07     0.04  -0.00  -0.03
     7   7    -0.03   0.07   0.05     0.03  -0.08  -0.01     0.04  -0.05  -0.01
     8   8     0.00  -0.01  -0.00     0.00   0.00   0.01    -0.04  -0.06  -0.03
     9   1    -0.07   0.16  -0.05    -0.35   0.50  -0.00    -0.02   0.33   0.02
    10   1     0.45  -0.25   0.12     0.10   0.04  -0.20    -0.06  -0.08   0.17
    11   1     0.03  -0.08  -0.07    -0.02   0.07   0.07     0.21  -0.49  -0.48
    12   1     0.05   0.03  -0.10    -0.18  -0.40  -0.16    -0.15  -0.27  -0.07
    13   1     0.19   0.34   0.06    -0.05   0.16  -0.05    -0.07   0.13  -0.04
    14   1     0.13  -0.09   0.25     0.03  -0.02   0.18    -0.08   0.01   0.02
    15   1     0.08  -0.14   0.19     0.02  -0.04   0.07    -0.04   0.01  -0.20
    16   1     0.01  -0.07  -0.39     0.00  -0.02  -0.01    -0.06  -0.04   0.10
    17   1     0.20  -0.02  -0.03    -0.16   0.02  -0.07     0.16   0.03  -0.08
    18   1    -0.26  -0.16   0.09     0.16   0.05  -0.16     0.02  -0.02  -0.05
    19   1     0.04  -0.12   0.00    -0.36  -0.04   0.09    -0.02  -0.05   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1173.5198              1209.7981              1230.6545
 Red. masses --      2.0171                 2.1235                 1.7620
 Frc consts  --      1.6366                 1.8311                 1.5723
 IR Inten    --     68.2642                 4.4973                10.5687
 RamAct Fr= 1--      4.2274                 2.1672                 2.0988
  Dep-P Fr= 1--      0.5880                 0.6289                 0.3577
  Dep-U Fr= 1--      0.7406                 0.7722                 0.5269
 Alpha2 Fr= 1--      0.0128                 0.0048                 0.0180
 Beta2  Fr= 1--      0.5218                 0.2789                 0.1843
 AlphaG Fr= 1--      0.0017                -0.0067                 0.0095
 Gamma2 Fr= 1--      0.0506                -0.3985                -0.2995
 Delta2 Fr= 1--      0.4547                 0.3043                -0.3342
 Raman1 Fr= 1--      16.909                  8.669                  8.395
 ROA1   Fr= 1--      19.407                -28.516                -39.446
 CID1   Fr= 1--       1.148                 -3.290                 -4.699
 Raman2 Fr= 1--       6.261                  3.347                  2.212
 ROA2   Fr= 1--      -2.424                -11.997                 -4.514
 CID2   Fr= 1--      -0.387                 -3.585                 -2.041
 Raman3 Fr= 1--      12.523                  6.694                  4.424
 ROA3   Fr= 1--      19.407                -28.516                -39.446
 CID3   Fr= 1--       1.550                 -4.260                 -8.917
 RC180  Fr= 1--       0.481                  0.544                  0.054
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11   0.01    -0.08  -0.03  -0.09     0.01  -0.04  -0.03
     2   6     0.09   0.13  -0.08     0.17   0.00   0.11    -0.03   0.12   0.07
     3   6    -0.04  -0.12   0.05    -0.05   0.14   0.03    -0.01  -0.11  -0.12
     4   6     0.04   0.01  -0.08     0.02  -0.01  -0.01    -0.03   0.00   0.03
     5   8    -0.01   0.07   0.06    -0.00  -0.01  -0.01     0.00  -0.01  -0.01
     6   6    -0.05  -0.02   0.04    -0.11  -0.04  -0.04     0.01  -0.09  -0.02
     7   7     0.00   0.06   0.01     0.01  -0.06  -0.04     0.01   0.02   0.07
     8   8    -0.01  -0.03  -0.01    -0.01  -0.00   0.00     0.01   0.02   0.00
     9   1    -0.09  -0.36   0.04    -0.09   0.20   0.04    -0.05   0.34  -0.13
    10   1     0.05   0.21  -0.29     0.32  -0.06   0.22     0.09   0.01   0.29
    11   1     0.16  -0.34  -0.31    -0.03   0.06   0.06    -0.01   0.01   0.01
    12   1     0.08   0.20   0.10    -0.05  -0.05   0.04    -0.10  -0.32  -0.20
    13   1    -0.01  -0.06   0.02    -0.10  -0.17  -0.05     0.15   0.52   0.04
    14   1     0.07   0.01  -0.10     0.19  -0.01  -0.29    -0.08   0.06  -0.32
    15   1     0.03   0.06   0.24     0.06   0.01   0.32    -0.05   0.17  -0.00
    16   1     0.09   0.09  -0.03     0.14   0.11  -0.26     0.06   0.07   0.19
    17   1    -0.40  -0.03   0.12    -0.12  -0.11   0.27    -0.15  -0.02   0.08
    18   1     0.17   0.13  -0.01    -0.18   0.02   0.25     0.08   0.09   0.04
    19   1    -0.08   0.15   0.00     0.32   0.09  -0.09     0.08   0.14  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1296.8328              1345.4981              1368.8359
 Red. masses --      1.2772                 2.2696                 1.4151
 Frc consts  --      1.2656                 2.4209                 1.5622
 IR Inten    --      0.8412                28.0251                 3.7505
 RamAct Fr= 1--      4.1029                 2.6357                 6.5748
  Dep-P Fr= 1--      0.6900                 0.6673                 0.5929
  Dep-U Fr= 1--      0.8166                 0.8005                 0.7444
 Alpha2 Fr= 1--      0.0043                 0.0039                 0.0192
 Beta2  Fr= 1--      0.5584                 0.3516                 0.8158
 AlphaG Fr= 1--     -0.0048                -0.0036                 0.0645
 Gamma2 Fr= 1--     -0.3086                 0.8006                -0.5962
 Delta2 Fr= 1--     -0.8109                 0.2545                -1.4195
 Raman1 Fr= 1--      16.412                 10.543                 26.299
 ROA1   Fr= 1--     -55.570                 85.003               -102.657
 CID1   Fr= 1--      -3.386                  8.063                 -3.903
 Raman2 Fr= 1--       6.701                  4.220                  9.789
 ROA2   Fr= 1--      -0.919                 17.179                 -2.952
 CID2   Fr= 1--      -0.137                  4.071                 -0.302
 Raman3 Fr= 1--      13.402                  8.439                 19.578
 ROA3   Fr= 1--     -55.570                 85.003               -102.657
 CID3   Fr= 1--      -4.147                 10.073                 -5.243
 RC180  Fr= 1--       0.633                  0.601                  0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.00     0.02  -0.02   0.01     0.02  -0.05  -0.00
     2   6     0.01  -0.00  -0.02    -0.05   0.03  -0.03    -0.13   0.04  -0.03
     3   6    -0.13   0.02  -0.03    -0.04  -0.03   0.04     0.06   0.04   0.06
     4   6     0.02  -0.03   0.04     0.22  -0.05  -0.18    -0.04   0.00   0.02
     5   8    -0.01  -0.01  -0.01    -0.08  -0.04   0.02     0.02   0.01  -0.00
     6   6    -0.00   0.03   0.01     0.01  -0.02   0.01     0.03  -0.02  -0.01
     7   7     0.02  -0.01   0.01    -0.00   0.01  -0.00    -0.01  -0.00  -0.04
     8   8     0.00   0.03   0.01    -0.02   0.06   0.05     0.00  -0.01  -0.01
     9   1     0.85  -0.03   0.04    -0.19  -0.07   0.02     0.04   0.11   0.06
    10   1     0.26   0.03  -0.29     0.17  -0.09   0.16     0.80  -0.26   0.18
    11   1    -0.05   0.09   0.07    -0.31   0.57   0.58     0.06  -0.10  -0.10
    12   1    -0.07  -0.12  -0.03     0.04   0.08   0.03     0.06   0.15   0.07
    13   1    -0.00   0.16  -0.00     0.02  -0.00   0.00    -0.04  -0.26  -0.02
    14   1     0.02  -0.02   0.12    -0.06   0.02  -0.05    -0.12   0.01   0.01
    15   1     0.03  -0.04   0.03    -0.04   0.07  -0.04    -0.00   0.09   0.01
    16   1    -0.03  -0.02  -0.03     0.02   0.00   0.03    -0.04  -0.02   0.12
    17   1    -0.09  -0.01   0.01    -0.06   0.02  -0.04    -0.10   0.00  -0.05
    18   1     0.07   0.04  -0.03     0.05   0.00  -0.02     0.11   0.06  -0.02
    19   1     0.01   0.04  -0.01    -0.05   0.04   0.01     0.00   0.14  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1375.8114              1402.7931              1404.3504
 Red. masses --      1.3525                 1.2654                 1.2767
 Frc consts  --      1.5084                 1.4671                 1.4836
 IR Inten    --      0.9763                 8.7544                 7.9470
 RamAct Fr= 1--      3.5780                 3.4750                 0.0589
  Dep-P Fr= 1--      0.7067                 0.4385                 0.6384
  Dep-U Fr= 1--      0.8282                 0.6096                 0.7793
 Alpha2 Fr= 1--      0.0027                 0.0223                 0.0001
 Beta2  Fr= 1--      0.4939                 0.3531                 0.0076
 AlphaG Fr= 1--     -0.0026                 0.0215                 0.0002
 Gamma2 Fr= 1--     -1.0957                 1.1304                 0.0134
 Delta2 Fr= 1--      0.3016                -0.0011                -0.0264
 Raman1 Fr= 1--      14.312                 13.900                  0.235
 ROA1   Fr= 1--     -95.536                108.479                  0.443
 CID1   Fr= 1--      -6.675                  7.804                  1.882
 Raman2 Fr= 1--       5.926                  4.237                  0.092
 ROA2   Fr= 1--     -28.709                 27.137                  0.533
 CID2   Fr= 1--      -4.844                  6.405                  5.806
 Raman3 Fr= 1--      11.853                  8.474                  0.183
 ROA3   Fr= 1--     -95.536                108.479                  0.443
 CID3   Fr= 1--      -8.060                 12.802                  2.415
 RC180  Fr= 1--       0.656                  0.219                  0.559
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.04    -0.00   0.00  -0.00    -0.10  -0.02   0.06
     2   6     0.05   0.03  -0.14     0.00   0.00   0.03     0.02   0.01  -0.05
     3   6    -0.03  -0.01   0.03    -0.01  -0.12   0.03    -0.00   0.03   0.00
     4   6    -0.01  -0.00   0.02    -0.00  -0.01   0.00    -0.01   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.03  -0.05  -0.01     0.01   0.01   0.05    -0.00  -0.01   0.08
     7   7     0.00   0.00  -0.02    -0.00   0.02  -0.06     0.00  -0.00   0.01
     8   8     0.00   0.00  -0.00     0.01   0.02   0.01    -0.00  -0.00  -0.00
     9   1     0.36   0.11   0.06     0.15   0.76   0.04     0.05  -0.18   0.01
    10   1    -0.29  -0.17   0.71    -0.13   0.10  -0.16    -0.02  -0.07   0.20
    11   1     0.01  -0.02  -0.02    -0.01   0.01   0.01     0.01  -0.01  -0.01
    12   1     0.02   0.08   0.05     0.07   0.28   0.18    -0.01  -0.04  -0.02
    13   1    -0.04  -0.11  -0.01    -0.08  -0.24  -0.04     0.01   0.04   0.01
    14   1     0.03  -0.05  -0.01    -0.01   0.10  -0.19     0.04   0.11  -0.29
    15   1     0.03   0.09   0.20    -0.08  -0.05  -0.20    -0.14  -0.01  -0.24
    16   1     0.06   0.11   0.15     0.01  -0.09  -0.21     0.10  -0.05  -0.25
    17   1    -0.06   0.07  -0.05     0.03  -0.01   0.01     0.41  -0.05  -0.27
    18   1    -0.11  -0.15  -0.05     0.01   0.02   0.00     0.30   0.25  -0.27
    19   1    -0.16  -0.10   0.04     0.03   0.00  -0.00     0.40   0.12   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1425.3728              1487.7672              1495.4253
 Red. masses --      1.2457                 1.0409                 1.0504
 Frc consts  --      1.4912                 1.3574                 1.3840
 IR Inten    --      5.6415                 1.4044                 2.7627
 RamAct Fr= 1--      0.2157                 9.4161                 2.1970
  Dep-P Fr= 1--      0.6645                 0.7493                 0.7129
  Dep-U Fr= 1--      0.7984                 0.8567                 0.8324
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0014
 Beta2  Fr= 1--      0.0287                 1.3445                 0.3048
 AlphaG Fr= 1--     -0.0008                 0.0020                 0.0044
 Gamma2 Fr= 1--     -0.2559                -0.1334                 0.3346
 Delta2 Fr= 1--      0.0820                -0.4173                 0.2924
 Raman1 Fr= 1--       0.863                 37.664                  8.788
 ROA1   Fr= 1--     -21.945                -26.163                 41.475
 CID1   Fr= 1--     -25.433                 -0.695                  4.720
 Raman2 Fr= 1--       0.344                 16.134                  3.657
 ROA2   Fr= 1--      -6.799                  0.136                  5.691
 CID2   Fr= 1--     -19.738                  0.008                  1.556
 Raman3 Fr= 1--       0.689                 32.267                  7.315
 ROA3   Fr= 1--     -21.945                -26.163                 41.475
 CID3   Fr= 1--     -31.854                 -0.811                  5.670
 RC180  Fr= 1--       0.597                  0.713                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.02   0.02    -0.01   0.04   0.01    -0.01  -0.00  -0.04
     2   6     0.01  -0.00   0.02    -0.00  -0.00   0.02     0.01  -0.01  -0.03
     3   6    -0.00  -0.05   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.00  -0.11     0.01  -0.03  -0.00     0.03  -0.02   0.01
     7   7    -0.00   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.03   0.22   0.00    -0.02   0.01   0.00     0.04  -0.04   0.00
    10   1    -0.08   0.05  -0.07     0.04   0.02  -0.08    -0.04  -0.02   0.04
    11   1    -0.01   0.02   0.02     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    12   1     0.03   0.07   0.03    -0.00   0.00   0.01    -0.00   0.01   0.02
    13   1    -0.02  -0.07  -0.01    -0.01  -0.01  -0.00    -0.01   0.01  -0.00
    14   1    -0.01  -0.19   0.41    -0.19  -0.05   0.22    -0.36   0.07   0.08
    15   1     0.19   0.05   0.38    -0.14   0.44  -0.03    -0.03   0.32   0.11
    16   1    -0.09   0.14   0.39     0.25   0.15  -0.19     0.03  -0.10  -0.21
    17   1     0.33  -0.08  -0.12    -0.21   0.02   0.20     0.34  -0.20   0.36
    18   1     0.22   0.23  -0.13     0.04  -0.17  -0.44     0.16   0.37   0.31
    19   1     0.29   0.08   0.00     0.28  -0.42   0.02    -0.34  -0.12  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.9898              1514.4094              1671.0791
 Red. masses --      1.0434                 1.0566                 1.0909
 Frc consts  --      1.3980                 1.4277                 1.7948
 IR Inten    --      9.4953                 7.1834                39.1632
 RamAct Fr= 1--      2.9477                 5.1634                 2.5976
  Dep-P Fr= 1--      0.7497                 0.7495                 0.5191
  Dep-U Fr= 1--      0.8570                 0.8568                 0.6835
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0117
 Beta2  Fr= 1--      0.4210                 0.7374                 0.2959
 AlphaG Fr= 1--     -0.0006                -0.0005                -0.0064
 Gamma2 Fr= 1--     -0.0938                -0.6139                -0.1171
 Delta2 Fr= 1--      0.3490                -0.2094                 0.1945
 Raman1 Fr= 1--      11.791                 20.654                 10.390
 ROA1   Fr= 1--       2.160                -65.636                 -5.016
 CID1   Fr= 1--       0.183                 -3.178                 -0.483
 Raman2 Fr= 1--       5.052                  8.848                  3.551
 ROA2   Fr= 1--      -5.044                -13.059                 -4.365
 CID2   Fr= 1--      -0.998                 -1.476                 -1.229
 Raman3 Fr= 1--      10.104                 17.697                  7.101
 ROA3   Fr= 1--       2.160                -65.636                 -5.016
 CID3   Fr= 1--       0.214                 -3.709                 -0.706
 RC180  Fr= 1--       0.714                  0.714                  0.367
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.00    -0.00   0.02  -0.02    -0.00   0.00   0.00
     2   6    -0.01  -0.03   0.01    -0.04   0.02  -0.02    -0.01  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.01   0.00     0.03   0.01  -0.01
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.02  -0.03   0.00    -0.04   0.00   0.01    -0.00   0.00  -0.00
     7   7    -0.00   0.00   0.00    -0.00   0.01   0.00     0.02  -0.07  -0.03
     8   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   1     0.01   0.03  -0.00     0.01   0.01   0.00    -0.02  -0.05  -0.01
    10   1    -0.03  -0.00  -0.07     0.07  -0.02   0.02     0.02  -0.02   0.02
    11   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   1     0.01  -0.00  -0.02     0.01  -0.01  -0.03    -0.12   0.33   0.59
    13   1    -0.01  -0.02   0.00     0.01  -0.04   0.01    -0.33   0.61  -0.14
    14   1     0.18  -0.18   0.26     0.53  -0.14  -0.02     0.04  -0.03   0.02
    15   1    -0.22   0.32  -0.23    -0.07  -0.25  -0.27    -0.00  -0.01  -0.01
    16   1     0.41   0.37  -0.09     0.15   0.28   0.22     0.02   0.03   0.03
    17   1     0.07   0.05  -0.28     0.12  -0.13   0.40     0.00  -0.00  -0.00
    18   1    -0.10   0.00   0.27     0.17   0.20  -0.03     0.00   0.00  -0.00
    19   1    -0.13   0.38  -0.02    -0.11  -0.35   0.01    -0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1802.5796              3030.0382              3034.7536
 Red. masses --      9.8702                 1.0356                 1.0364
 Frc consts  --     18.8958                 5.6021                 5.6238
 IR Inten    --    262.6337                32.6318                16.2757
 RamAct Fr= 1--     10.8605                31.7246               282.9731
  Dep-P Fr= 1--      0.1631                 0.0516                 0.0074
  Dep-U Fr= 1--      0.2804                 0.0982                 0.0147
 Alpha2 Fr= 1--      0.1624                 0.6242                 6.1804
 Beta2  Fr= 1--      0.5076                 0.5193                 0.6934
 AlphaG Fr= 1--     -0.0572                 0.0523                -0.0917
 Gamma2 Fr= 1--      0.7959                -1.6582                 1.0654
 Delta2 Fr= 1--     -1.1297                -1.2977                 0.8052
 Raman1 Fr= 1--      43.442                126.898               1131.892
 ROA1   Fr= 1--      40.255               -200.714                128.045
 CID1   Fr= 1--       0.927                 -1.582                  0.113
 Raman2 Fr= 1--       6.091                  6.232                  8.321
 ROA2   Fr= 1--      28.139                -29.416                 19.128
 CID2   Fr= 1--       4.620                 -4.720                  2.299
 Raman3 Fr= 1--      12.183                 12.463                 16.643
 ROA3   Fr= 1--      40.255               -200.714                128.045
 CID3   Fr= 1--       3.304                -16.104                  7.694
 RC180  Fr= 1--      -0.439                 -0.804                 -0.971
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.02   0.00  -0.01     0.04   0.00  -0.02
     2   6    -0.01   0.02  -0.01     0.00   0.01   0.00    -0.00   0.00   0.00
     3   6    -0.04  -0.05  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.01
     4   6     0.30   0.60   0.25     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8    -0.02  -0.05  -0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.01   0.00     0.00  -0.01  -0.04    -0.00   0.00   0.02
     7   7    -0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   8    -0.16  -0.39  -0.18    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1     0.11   0.12   0.01    -0.00   0.00   0.02     0.01  -0.00  -0.08
    10   1     0.05   0.01   0.01    -0.02  -0.09  -0.03    -0.00  -0.02  -0.01
    11   1    -0.17   0.32   0.32     0.00   0.00   0.00     0.00   0.00  -0.00
    12   1    -0.01   0.01   0.02    -0.00   0.00   0.00     0.00   0.00  -0.00
    13   1    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.00  -0.00     0.15   0.51   0.19    -0.08  -0.26  -0.10
    15   1    -0.01   0.03  -0.00    -0.46  -0.14   0.20     0.26   0.08  -0.11
    16   1     0.01   0.01   0.01     0.29  -0.29   0.12    -0.15   0.15  -0.06
    17   1    -0.02  -0.00   0.01    -0.04  -0.20  -0.06    -0.09  -0.38  -0.11
    18   1     0.03   0.02  -0.01    -0.20   0.18  -0.10    -0.37   0.32  -0.18
    19   1    -0.00  -0.00   0.00     0.01   0.02   0.30     0.02   0.03   0.58
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3045.5919              3054.7955              3090.5210
 Red. masses --      1.0835                 1.0838                 1.1019
 Frc consts  --      5.9213                 5.9587                 6.2008
 IR Inten    --      2.1089                13.3465                24.9360
 RamAct Fr= 1--     65.5211               116.3374                59.7337
  Dep-P Fr= 1--      0.6289                 0.0834                 0.7455
  Dep-U Fr= 1--      0.7722                 0.1539                 0.8542
 Alpha2 Fr= 1--      0.1444                 2.1210                 0.0046
 Beta2  Fr= 1--      8.4321                 2.9847                 8.5039
 AlphaG Fr= 1--      0.0208                -0.2057                -0.0159
 Gamma2 Fr= 1--      5.1436                -8.6011                 5.2575
 Delta2 Fr= 1--      4.6585                -5.4945                 4.2128
 Raman1 Fr= 1--     262.084                465.350                238.935
 ROA1   Fr= 1--     642.860              -1001.533                639.532
 CID1   Fr= 1--       2.453                 -2.152                  2.677
 Raman2 Fr= 1--     101.186                 35.816                102.047
 ROA2   Fr= 1--      86.178               -162.472                 92.478
 CID2   Fr= 1--       0.852                 -4.536                  0.906
 Raman3 Fr= 1--     202.371                 71.632                204.094
 ROA3   Fr= 1--     642.860              -1001.533                639.532
 CID3   Fr= 1--       3.177                -13.982                  3.134
 RC180  Fr= 1--       0.544                 -0.692                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00     0.01   0.00   0.00    -0.04   0.02  -0.07
     2   6    -0.02  -0.07  -0.02    -0.01  -0.02  -0.01    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.03     0.01  -0.00  -0.08     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.01   0.02  -0.01     0.00   0.01   0.00     0.03   0.01  -0.00
     7   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1     0.03  -0.00  -0.33    -0.07   0.01   0.93    -0.00  -0.00   0.04
    10   1     0.21   0.83   0.29     0.07   0.29   0.10    -0.00  -0.01  -0.00
    11   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.01     0.01   0.00  -0.02    -0.00   0.00   0.00
    14   1    -0.02  -0.08  -0.03    -0.02  -0.07  -0.03    -0.03  -0.14  -0.06
    15   1    -0.14  -0.03   0.06    -0.01  -0.00   0.01    -0.27  -0.08   0.12
    16   1     0.09  -0.08   0.04     0.03  -0.02   0.01    -0.10   0.11  -0.05
    17   1    -0.03  -0.13  -0.04    -0.02  -0.09  -0.02     0.01   0.08   0.00
    18   1     0.01  -0.01   0.01    -0.04   0.04  -0.02     0.46  -0.40   0.20
    19   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.01   0.04   0.65
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3091.8408              3096.4634              3111.8500
 Red. masses --      1.1013                 1.1006                 1.1005
 Frc consts  --      6.2031                 6.2173                 6.2787
 IR Inten    --     26.0084                33.4869                26.3683
 RamAct Fr= 1--     34.9140                91.9523                45.8325
  Dep-P Fr= 1--      0.6162                 0.6060                 0.7026
  Dep-U Fr= 1--      0.7625                 0.7547                 0.8253
 Alpha2 Fr= 1--      0.0856                 0.2443                 0.0378
 Beta2  Fr= 1--      4.4372                11.5657                 6.3042
 AlphaG Fr= 1--     -0.1122                 0.0323                -0.0630
 Gamma2 Fr= 1--     -5.5759                 5.9766                -3.8763
 Delta2 Fr= 1--     -5.4347                 7.6389                -3.9239
 Raman1 Fr= 1--     139.656                367.809                183.330
 ROA1   Fr= 1--    -709.193                818.195               -497.690
 CID1   Fr= 1--      -5.078                  2.225                 -2.715
 Raman2 Fr= 1--      53.247                138.788                 75.651
 ROA2   Fr= 1--     -90.343                 82.326                -61.639
 CID2   Fr= 1--      -1.697                  0.593                 -0.815
 Raman3 Fr= 1--     106.493                277.576                151.302
 ROA3   Fr= 1--    -709.193                818.195               -497.690
 CID3   Fr= 1--      -6.660                  2.948                 -3.289
 RC180  Fr= 1--       0.525                  0.509                  0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.02    -0.01  -0.01  -0.02     0.00  -0.08  -0.03
     2   6    -0.00  -0.01  -0.01    -0.00   0.01   0.00    -0.00  -0.02  -0.01
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.05  -0.07   0.00    -0.07   0.05  -0.00     0.00  -0.01   0.00
     7   7     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.02     0.00   0.00  -0.01    -0.00  -0.00   0.02
    10   1     0.04   0.16   0.06    -0.01  -0.06  -0.02     0.04   0.17   0.06
    11   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1     0.17   0.62   0.25    -0.08  -0.22  -0.09     0.03   0.11   0.05
    15   1     0.53   0.14  -0.24     0.35   0.12  -0.16     0.02   0.00  -0.01
    16   1    -0.10   0.07  -0.04     0.57  -0.56   0.26    -0.08   0.07  -0.03
    17   1    -0.03  -0.10  -0.04     0.03   0.13   0.03     0.20   0.80   0.22
    18   1     0.19  -0.16   0.09     0.09  -0.08   0.04    -0.26   0.21  -0.13
    19   1     0.00   0.02   0.17     0.00   0.01   0.18     0.01  -0.00   0.27
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3509.3280              3579.3258              3721.8114
 Red. masses --      1.0491                 1.0927                 1.0640
 Frc consts  --      7.6125                 8.2483                 8.6839
 IR Inten    --      1.6404                 4.6526                63.6087
 RamAct Fr= 1--     97.0999                39.7579               102.4378
  Dep-P Fr= 1--      0.1032                 0.6836                 0.2215
  Dep-U Fr= 1--      0.1871                 0.8120                 0.3627
 Alpha2 Fr= 1--      1.6869                 0.0465                 1.3132
 Beta2  Fr= 1--      3.0271                 5.3809                 6.1922
 AlphaG Fr= 1--      0.4493                 0.1115                 0.1353
 Gamma2 Fr= 1--      0.5633                 1.5417                 2.1653
 Delta2 Fr= 1--     -0.1435                 0.5106                -0.7607
 Raman1 Fr= 1--     388.400                159.032                409.751
 ROA1   Fr= 1--      49.485                164.341                183.524
 CID1   Fr= 1--       0.127                  1.033                  0.448
 Raman2 Fr= 1--      36.326                 64.571                 74.306
 ROA2   Fr= 1--      14.667                 32.915                 58.052
 CID2   Fr= 1--       0.404                  0.510                  0.781
 Raman3 Fr= 1--      72.651                129.141                148.613
 ROA3   Fr= 1--      49.485                164.341                183.524
 CID3   Fr= 1--       0.681                  1.273                  1.235
 RC180  Fr= 1--      -0.626                  0.624                 -0.275
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.05  -0.03   0.01
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   7     0.04  -0.04  -0.02    -0.02   0.03  -0.07     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   1    -0.00  -0.00   0.01    -0.00   0.00   0.02    -0.00   0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.85   0.50  -0.16
    12   1    -0.42   0.44  -0.38     0.43  -0.43   0.34     0.00  -0.00   0.00
    13   1    -0.11   0.06   0.69    -0.14   0.07   0.69     0.00  -0.00  -0.00
    14   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   603.543841265.765451368.64540
           X            0.99960  -0.02748  -0.00642
           Y            0.02671   0.99479  -0.09838
           Z            0.00909   0.09817   0.99513
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14351     0.06843     0.06328
 Rotational constants (GHZ):           2.99024     1.42581     1.31863
 Zero-point vibrational energy     431372.7 (Joules/Mol)
                                  103.10056 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     56.45   110.16   255.98   306.35   316.84
          (Kelvin)            378.18   382.36   424.57   481.21   568.57
                              669.74   820.76   877.91   938.29  1036.23
                             1182.66  1200.17  1296.98  1351.76  1367.87
                             1402.26  1534.41  1571.88  1670.07  1688.43
                             1740.63  1770.64  1865.85  1935.87  1969.45
                             1979.49  2018.31  2020.55  2050.79  2140.57
                             2151.58  2169.66  2178.90  2404.31  2593.51
                             4359.55  4366.33  4381.93  4395.17  4446.57
                             4448.47  4455.12  4477.26  5049.14  5149.85
                             5354.86
 
 Zero-point correction=                           0.164301 (Hartree/Particle)
 Thermal correction to Energy=                    0.173844
 Thermal correction to Enthalpy=                  0.174788
 Thermal correction to Gibbs Free Energy=         0.129724
 Sum of electronic and zero-point Energies=           -402.405090
 Sum of electronic and thermal Energies=              -402.395547
 Sum of electronic and thermal Enthalpies=            -402.394603
 Sum of electronic and thermal Free Energies=         -402.439667
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.089             34.416             94.845
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.438
 Vibrational            107.311             28.455             26.219
 Vibration     1          0.594              1.981              5.297
 Vibration     2          0.599              1.965              3.977
 Vibration     3          0.628              1.870              2.350
 Vibration     4          0.644              1.821              2.018
 Vibration     5          0.647              1.810              1.957
 Vibration     6          0.670              1.741              1.643
 Vibration     7          0.672              1.736              1.624
 Vibration     8          0.689              1.683              1.445
 Vibration     9          0.716              1.607              1.238
 Vibration    10          0.762              1.480              0.981
 Vibration    11          0.823              1.327              0.750
 Vibration    12          0.927              1.095              0.503
 Vibration    13          0.969              1.010              0.432
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.214403D-59        -59.668770       -137.392420
 Total V=0       0.802542D+16         15.904468         36.621391
 Vib (Bot)       0.117635D-72        -72.929464       -167.926297
 Vib (Bot)    1  0.527386D+01          0.722128          1.662762
 Vib (Bot)    2  0.269118D+01          0.429943          0.989979
 Vib (Bot)    3  0.112972D+01          0.052970          0.121969
 Vib (Bot)    4  0.931708D+00         -0.030720         -0.070736
 Vib (Bot)    5  0.898162D+00         -0.046645         -0.107404
 Vib (Bot)    6  0.737907D+00         -0.131998         -0.303937
 Vib (Bot)    7  0.728779D+00         -0.137404         -0.316385
 Vib (Bot)    8  0.646244D+00         -0.189603         -0.436578
 Vib (Bot)    9  0.557114D+00         -0.254056         -0.584985
 Vib (Bot)   10  0.452613D+00         -0.344273         -0.792717
 Vib (Bot)   11  0.363727D+00         -0.439225         -1.011353
 Vib (Bot)   12  0.269669D+00         -0.569169         -1.310561
 Vib (Bot)   13  0.242151D+00         -0.615913         -1.418193
 Vib (V=0)       0.440325D+03          2.643774          6.087514
 Vib (V=0)    1  0.579751D+01          0.763241          1.757428
 Vib (V=0)    2  0.323723D+01          0.510174          1.174719
 Vib (V=0)    3  0.173542D+01          0.239405          0.551250
 Vib (V=0)    4  0.155739D+01          0.192398          0.443013
 Vib (V=0)    5  0.152796D+01          0.184111          0.423932
 Vib (V=0)    6  0.139135D+01          0.143437          0.330275
 Vib (V=0)    7  0.138381D+01          0.141076          0.324840
 Vib (V=0)    8  0.131709D+01          0.119615          0.275423
 Vib (V=0)    9  0.124858D+01          0.096417          0.222009
 Vib (V=0)   10  0.117443D+01          0.069828          0.160785
 Vib (V=0)   11  0.111830D+01          0.048559          0.111811
 Vib (V=0)   12  0.106809D+01          0.028606          0.065868
 Vib (V=0)   13  0.105555D+01          0.023479          0.054063
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.366035D+06          5.563522         12.810483
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    3  3        33333333                                         1   1  11111111111 1111 11                                    
     7    5  5        10000000                                         8   6  55444443332 2211 00 999 988   7 6 65   4 33222221      
     2    7  0        19995433                                         0   7  10982007649 3176 96 754 032   2 5 17   6 93966217   73 
     2    9  9        26215650                                         3   1  48585436957 1041 36 510 142   0 2 00   5 54563038   79 
 
     X    X  X        XXXXXXXX                                         X   X  XXXXXXXXXXX XXXX XX XXX XXX   X X XX   X XXXXXXXX   XX 
     X                XXXX   X                                         X   X           X    XX XX     X X   X X XX          X        
     X                 X                                               X   X                XX  X     X X   X X  X                   
     X                                                                 X                    XX        X X     X                      
     X                                                                 X                    XX        X X     X                      
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                                                                       X                     X          X                            
                                                                       X                     X          X                            
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                                                                       X                     X                                       
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004353   -0.000000775    0.000006121
      2        6           0.000001141   -0.000003593   -0.000010850
      3        6           0.000005646    0.000003927   -0.000003901
      4        6          -0.000003124   -0.000009459    0.000002167
      5        8          -0.000001229    0.000001383   -0.000001055
      6        6          -0.000001475    0.000005482    0.000008125
      7        7          -0.000003520   -0.000002487    0.000009030
      8        8           0.000002374    0.000002955    0.000003342
      9        1          -0.000003391   -0.000000920   -0.000000224
     10        1           0.000000357   -0.000000377    0.000002720
     11        1           0.000002534    0.000002806   -0.000000496
     12        1           0.000005099   -0.000001615   -0.000004840
     13        1          -0.000003127    0.000001173   -0.000005244
     14        1          -0.000000708    0.000000919   -0.000001633
     15        1           0.000000638   -0.000000524   -0.000001797
     16        1           0.000000884    0.000001280    0.000000263
     17        1           0.000001889   -0.000001151   -0.000001990
     18        1          -0.000000504   -0.000002128    0.000000637
     19        1           0.000000871    0.000003104   -0.000000374
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010850 RMS     0.000003613
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.865141D+02  0.859854D+00 -0.197771D+01
      2   0.859854D+00  0.760714D+02  0.185474D+01
      3  -0.197771D+01  0.185474D+01  0.734811D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.359035D+00 -0.708661D+00  0.124305D+01
      2   0.515808D+01 -0.709428D+01  0.335986D+02
      3   0.569954D+01 -0.256053D+02  0.778775D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.716563D+02 -0.183929D+02  0.467835D+01
      2  -0.394400D+02  0.198477D+02 -0.963715D+01
      3  -0.322163D+02 -0.145476D+01  0.495880D+01
      4  -0.227689D+02  0.409144D+02 -0.186292D+02
      5   0.994301D+01 -0.213815D+02  0.632259D+02
      6  -0.566621D+01  0.941161D+00 -0.933786D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.348744D-01  0.302504D+01 -0.331769D+01  0.450222D+01 -0.350071D+01
      2   0.302504D+01 -0.294208D+01  0.843466D-01 -0.350071D+01 -0.313520D+01
      3  -0.331769D+01  0.843466D-01  0.544135D+00  0.533506D-01 -0.202657D+01
                 6             7             8             9            10 
      1   0.533506D-01 -0.423774D+01  0.370745D+00 -0.595427D+00  0.170385D+01
      2  -0.202657D+01  0.370745D+00 -0.204409D+01  0.243155D+00 -0.261119D+01
      3   0.561872D+00 -0.595427D+00  0.243155D+00  0.736646D+01  0.393667D+01
                11            12            13            14            15 
      1  -0.261119D+01  0.393667D+01 -0.620405D+01  0.297089D+01  0.130387D-01
      2   0.322547D+01  0.216463D+00  0.297089D+01  0.416673D+01  0.278403D+01
      3   0.216463D+00 -0.308740D+00  0.130387D-01  0.278403D+01  0.523560D+00
                16            17            18            19            20 
      1   0.537948D+01  0.954892D-01  0.202792D+00 -0.280063D+01  0.367718D+01
      2   0.954892D-01  0.273927D+01  0.104748D+01  0.367718D+01 -0.658315D+00
      3   0.202792D+00  0.104748D+01 -0.528630D+01 -0.237422D+01  0.181479D+00
                21            22            23            24            25 
      1  -0.237422D+01  0.659560D+01 -0.428953D+00  0.282786D+00 -0.225251D+01
      2   0.181479D+00 -0.428953D+00 -0.910056D+00 -0.117074D+01  0.394073D+00
      3  -0.509281D+00  0.282786D+00 -0.117074D+01  0.107764D+01 -0.973748D+00
                26            27            28            29            30 
      1   0.394073D+00 -0.973748D+00 -0.951889D+00 -0.136326D+01  0.127150D+01
      2  -0.111803D+01  0.103082D+00 -0.136326D+01  0.576042D+00  0.136053D+01
      3   0.103082D+00  0.624724D+01  0.127150D+01  0.136053D+01  0.548790D+00
                31            32            33            34            35 
      1   0.211384D+01  0.788613D+00  0.142177D+01  0.105351D+01  0.168323D+01
      2   0.788613D+00  0.267538D+01  0.163668D+01  0.168323D+01  0.186748D+01
      3   0.142177D+01  0.163668D+01  0.925901D+00  0.479135D+00  0.162080D+00
                36            37            38            39            40 
      1   0.479135D+00  0.369283D+01  0.273685D+01 -0.588471D+00  0.458309D+01
      2   0.162080D+00  0.273685D+01  0.184045D+00 -0.712496D+00 -0.706758D+00
      3  -0.236330D-02 -0.588471D+00 -0.712496D+00  0.527742D+00 -0.147648D+01
                41            42            43            44            45 
      1  -0.706758D+00 -0.147648D+01  0.437312D+00 -0.102783D+01 -0.729866D+00
      2   0.307887D+01  0.797806D+00 -0.102783D+01  0.447592D+00  0.126832D+01
      3   0.797806D+00  0.149376D+01 -0.729866D+00  0.126832D+01  0.266556D+01
                46            47            48            49            50 
      1   0.146125D+01  0.345500D+01 -0.436272D+01  0.376447D+01 -0.321083D+01
      2   0.345500D+01 -0.306369D+01  0.965316D-01 -0.321083D+01 -0.184528D+01
      3  -0.436272D+01  0.965316D-01  0.275163D+00  0.116657D+00 -0.365040D+01
                51            52            53            54            55 
      1   0.116657D+00 -0.365702D+01 -0.117940D+00  0.343733D+00  0.260778D+01
      2  -0.365040D+01 -0.117940D+00 -0.295837D+01 -0.618971D+00 -0.146260D+01
      3   0.208242D+00  0.343733D+00 -0.618971D+00  0.358295D+01  0.116248D+01
                56            57            58            59            60 
      1  -0.146260D+01  0.116248D+01 -0.117562D+01  0.293249D+01 -0.680334D+00
      2   0.415422D+01 -0.732411D+00  0.293249D+01  0.250181D+01  0.114331D+01
      3  -0.732411D+00  0.211912D+01 -0.680334D+00  0.114331D+01 -0.109359D+01
                61            62            63            64            65 
      1   0.140144D+01 -0.935607D+00  0.217460D+01 -0.346671D+01 -0.299984D+01
      2  -0.935607D+00  0.124423D+01 -0.665367D+00 -0.299984D+01 -0.249121D+01
      3   0.217460D+01 -0.665367D+00 -0.349566D+01 -0.188797D+01 -0.121199D+01
                66            67            68            69            70 
      1  -0.188797D+01 -0.553744D+01 -0.291344D+01 -0.102006D+01 -0.258336D+01
      2  -0.121199D+01 -0.291344D+01 -0.910858D+01 -0.270338D+01 -0.111314D+01
      3  -0.124835D+01 -0.102006D+01 -0.270338D+01 -0.277920D+01 -0.178037D+01
                71            72            73            74            75 
      1  -0.111314D+01 -0.178037D+01  0.595465D+00 -0.468650D+00 -0.959848D+00
      2  -0.241038D+01 -0.282376D+01 -0.468650D+00  0.194226D+00 -0.825940D-01
      3  -0.282376D+01 -0.372070D+01 -0.959848D+00 -0.825940D-01  0.215580D+00
                76            77            78            79            80 
      1  -0.115373D+01  0.168408D+00 -0.936238D-02 -0.142582D+01 -0.111331D+00
      2   0.168408D+00  0.528946D+00 -0.112923D+01 -0.111331D+00 -0.138023D+01
      3  -0.936238D-02 -0.112923D+01  0.352237D-01  0.142454D+00  0.502565D+00
                81            82            83            84            85 
      1   0.142454D+00 -0.122743D+01 -0.864563D+00 -0.100392D+01 -0.985985D+00
      2   0.502565D+00 -0.864563D+00 -0.103591D+01 -0.715004D-01 -0.941990D+00
      3  -0.846104D+01 -0.100392D+01 -0.715004D-01 -0.294323D+00 -0.795866D-01
                86            87            88            89            90 
      1  -0.941990D+00 -0.795866D-01 -0.133684D+01 -0.127655D+00 -0.163574D+00
      2  -0.695342D+01 -0.167316D+01 -0.127655D+00 -0.164271D+01 -0.158700D+01
      3  -0.167316D+01 -0.172603D+01 -0.163574D+00 -0.158700D+01 -0.674349D+00
                91            92            93            94            95 
      1  -0.790221D+01 -0.929670D+00  0.230327D+01 -0.347152D+01 -0.135085D+01
      2  -0.929670D+00 -0.129630D+01  0.175102D+00 -0.135085D+01 -0.618601D+00
      3   0.230327D+01  0.175102D+00 -0.166072D+01  0.115028D+01  0.496564D+00
                96            97            98            99           100 
      1   0.115028D+01  0.156160D+01  0.248065D+00 -0.123562D+01 -0.180454D+01
      2   0.496564D+00  0.248065D+00  0.432579D+00 -0.880719D-01  0.238490D+01
      3  -0.763105D+00 -0.123562D+01 -0.880719D-01  0.115921D+01 -0.102996D+01
               101           102           103           104           105 
      1   0.238490D+01 -0.102996D+01  0.206337D+01 -0.259722D+01  0.835483D+00
      2  -0.328986D+01  0.108867D+01 -0.259722D+01  0.497320D+01 -0.147589D+01
      3   0.108867D+01 -0.103697D+01  0.835483D+00 -0.147589D+01  0.124320D+01
               106           107           108           109           110 
      1  -0.156022D+01  0.133120D+01 -0.115263D+01 -0.127859D+00  0.603681D+00
      2   0.133120D+01 -0.242262D+01  0.158132D+01  0.603681D+00 -0.348094D+00
      3  -0.115263D+01  0.158132D+01 -0.141402D+01  0.218747D+00 -0.336334D+00
               111           112           113           114           115 
      1   0.218747D+00  0.447842D+00 -0.225391D+00 -0.305810D+00  0.899752D+00
      2  -0.336334D+00 -0.225391D+00  0.105854D+01  0.859277D+00 -0.463401D+00
      3  -0.744067D+00 -0.305810D+00  0.859277D+00  0.850330D+00 -0.696810D+00
               116           117           118           119           120 
      1  -0.463401D+00 -0.696810D+00  0.939981D+00  0.725419D+00  0.121634D+01
      2   0.200400D+01  0.142938D+01  0.725419D+00  0.128485D+01  0.552425D+00
      3   0.142938D+01  0.514090D+01  0.121634D+01  0.552425D+00  0.942872D+00
               121           122           123           124           125 
      1   0.124562D+01  0.120949D+01  0.798143D+00  0.968242D+00  0.457157D+00
      2   0.120949D+01  0.477672D+01  0.218717D+01  0.457157D+00  0.169997D+01
      3   0.798143D+00  0.218717D+01  0.300071D+01  0.578906D+00  0.168898D+01
               126           127           128           129           130 
      1   0.578906D+00 -0.544044D+01 -0.137958D+01  0.242826D+01 -0.147107D+01
      2   0.168898D+01 -0.137958D+01 -0.106184D+01  0.898224D+00 -0.729638D+00
      3   0.211044D+01  0.242826D+01  0.898224D+00 -0.310868D+01  0.586303D+00
               131           132           133           134           135 
      1  -0.729638D+00  0.586303D+00  0.195498D+01  0.540846D+00 -0.196418D+01
      2  -0.976655D+00  0.129330D+01  0.540846D+00  0.951326D+00 -0.773142D+00
      3   0.129330D+01 -0.108454D+01 -0.196418D+01 -0.773142D+00  0.251867D+01
               136           137           138           139           140 
      1   0.398279D+01 -0.263911D+01  0.243620D+01 -0.284124D+01  0.264924D+01
      2  -0.263911D+01  0.253912D+01 -0.132355D+01  0.264924D+01 -0.360862D+01
      3   0.243620D+01 -0.132355D+01  0.224277D+01 -0.135739D+01  0.234087D+01
               141           142           143           144           145 
      1  -0.135739D+01  0.146587D+01 -0.907254D+00  0.153814D+01  0.150965D+01
      2   0.234087D+01 -0.907254D+00  0.152879D+01 -0.145854D+01  0.133452D+01
      3  -0.226028D+01  0.153814D+01 -0.145854D+01  0.185100D+01  0.518823D+00
               146           147           148           149           150 
      1   0.133452D+01  0.518823D+00  0.267615D+01  0.223038D+01 -0.129999D+00
      2   0.160489D+01  0.114256D+00  0.223038D+01  0.581894D+01  0.607970D+00
      3   0.114256D+00  0.266879D+00 -0.129999D+00  0.607970D+00  0.129871D+01
               151           152           153           154           155 
      1   0.125351D+01  0.342909D+00  0.533094D+00  0.690902D+01 -0.293425D+01
      2   0.342909D+00  0.114850D+01  0.891479D+00 -0.293425D+01  0.219748D+01
      3   0.533094D+00  0.891479D+00 -0.113720D+00  0.985507D+00 -0.341050D+00
               156           157           158           159           160 
      1   0.985507D+00 -0.457561D+01  0.299245D+01 -0.261290D+00  0.261293D+01
      2  -0.341050D+00  0.299245D+01 -0.258547D+01  0.685413D+00 -0.685045D+00
      3   0.100191D+01 -0.261290D+00  0.685413D+00 -0.110542D+01  0.124281D+01
               161           162           163           164           165 
      1  -0.685045D+00  0.124281D+01  0.284220D+00 -0.289881D+00 -0.952999D+00
      2   0.948813D+00 -0.789833D+00 -0.289881D+00  0.226945D+00  0.438937D-01
      3  -0.789833D+00  0.207948D+00 -0.952999D+00  0.438937D-01  0.226174D+00
               166           167           168           169           170 
      1  -0.575938D+00  0.663816D+00  0.624898D-01 -0.193512D+01  0.254895D-01
      2   0.663816D+00  0.162757D+00 -0.100300D+01  0.254895D-01 -0.103611D+01
      3   0.624898D-01 -0.100300D+01 -0.407004D+00  0.205657D+01 -0.113154D+00
               171 
      1   0.205657D+01
      2  -0.113154D+00
      3  -0.968222D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.294439D+01  0.249126D+01  0.118668D+00  0.347899D+01  0.225235D+01
      2  -0.956094D+01  0.281906D+01  0.359106D+00  0.401166D+01 -0.857557D+01
      3  -0.830682D+01  0.579600D+01  0.697109D+00  0.137779D+02  0.105490D+02
                 6             7             8             9            10 
      1  -0.704321D+00  0.647198D+00  0.331068D+01 -0.219860D+00  0.333956D+01
      2   0.136835D+01 -0.937597D+01  0.811725D+00  0.214089D+02  0.756056D+01
      3   0.470088D+01 -0.906933D+00  0.583353D+01 -0.113181D+01  0.352468D+01
                11            12            13            14            15 
      1  -0.407549D+00  0.190451D+00 -0.791925D+00  0.331180D+01 -0.435349D+01
      2  -0.906137D+00  0.452519D+01 -0.435600D+01  0.370669D+01  0.396496D-01
      3  -0.462199D+01 -0.131171D+01  0.153272D+01 -0.953782D+01 -0.431273D+01
                16            17            18            19            20 
      1  -0.443950D+00  0.261243D+01 -0.278416D+01 -0.386981D+01  0.368252D+00
      2  -0.258641D+01  0.123862D+01 -0.547332D+01 -0.196213D+00  0.842936D+00
      3  -0.575322D+00 -0.371150D+01 -0.284972D+00  0.903493D+00 -0.468878D+01
                21            22            23            24            25 
      1  -0.112784D+01 -0.790306D+00  0.739303D+00  0.160572D+01 -0.457374D+00
      2   0.108862D+01  0.702311D+01 -0.843965D+00  0.161595D+01 -0.684800D+01
      3   0.143513D+01  0.260585D+01  0.639174D+00  0.283819D+01 -0.127563D+01
                26            27            28            29            30 
      1   0.528166D+01 -0.198933D+01  0.924834D+00  0.422115D-01  0.213619D+01
      2   0.952534D-01 -0.277725D+01 -0.905641D+01 -0.163854D+00 -0.293352D+01
      3   0.146910D+01 -0.401164D+00 -0.631393D+01  0.129701D+01 -0.204492D+01
                31            32            33            34            35 
      1   0.247487D+01 -0.617545D+01  0.107834D+01 -0.162364D+01  0.219290D+01
      2   0.881188D+01 -0.632230D+00 -0.505389D+01 -0.118763D+02 -0.370728D+01
      3   0.445502D+01  0.980469D+01 -0.429838D+00 -0.557401D+01 -0.225129D+01
                36            37            38            39            40 
      1   0.777528D+01  0.110539D+01 -0.131351D+00  0.124029D+01  0.193375D+01
      2   0.360587D+01  0.790240D+00  0.514538D-01  0.245509D+01 -0.888697D+00
      3   0.200116D+01  0.601866D+01 -0.171140D+01 -0.119518D+01  0.480660D+01
                41            42            43            44            45 
      1   0.240178D+01 -0.276749D+01  0.969951D+00  0.353063D+01 -0.154014D+01
      2  -0.326305D+01 -0.282442D+01 -0.362903D+00 -0.279619D+01 -0.714566D+01
      3   0.840269D+01  0.149993D+01  0.243275D+01  0.234703D+01  0.189530D+01
                46            47            48            49            50 
      1   0.337071D+01 -0.576193D+01  0.452672D+00 -0.610516D+01 -0.603850D+01
      2  -0.101249D+02 -0.682172D+01  0.128649D+02 -0.553025D+01  0.792797D+00
      3  -0.605313D+01 -0.396547D+00  0.284344D+01  0.389410D+01  0.493974D+01
                51            52            53            54            55 
      1  -0.111175D+02  0.865589D-01 -0.441425D+01  0.249644D+01 -0.185749D+01
      2  -0.926842D-01  0.583301D+01 -0.557187D+00  0.316472D+01  0.899167D+00
      3   0.473800D+01  0.266763D+01  0.372139D+01  0.441126D+00  0.619797D+01
                56            57            58            59            60 
      1   0.107174D+01 -0.588720D+01  0.101755D+01 -0.480959D+01 -0.312939D+01
      2   0.118571D+01  0.454067D+01 -0.138607D+01  0.202278D+00 -0.579152D-01
      3  -0.102425D+02  0.169270D+01  0.287747D+01  0.684303D+01 -0.270579D+01
                61            62            63            64            65 
      1  -0.446126D+01  0.671674D+01  0.867509D+01  0.137118D+01  0.267182D+01
      2  -0.141573D+01  0.333183D+00 -0.565869D+00  0.100626D+01  0.267498D+00
      3   0.288833D+01 -0.201571D+01  0.545176D+01  0.133314D+01 -0.533350D+01
                66            67            68            69            70 
      1  -0.324577D+01  0.235216D+00  0.498078D+01 -0.739799D+01  0.709012D+00
      2   0.566111D+01 -0.857822D+01  0.253158D+01  0.610775D+01 -0.159830D+00
      3  -0.528585D+00  0.425028D+01 -0.157207D+02 -0.319124D+01  0.121128D+01
                71            72            73            74            75 
      1   0.350781D+01 -0.314617D+01  0.852710D+00 -0.234619D+00  0.841388D-01
      2   0.578684D+01  0.418482D+01  0.126107D+01 -0.245861D+00 -0.168590D+00
      3  -0.215480D+01 -0.476835D+01  0.102243D+01 -0.427473D+00 -0.688836D+00
                76            77            78            79            80 
      1  -0.684938D-01 -0.562539D+00 -0.187683D-01  0.132751D+00  0.336256D+01
      2  -0.856557D+00  0.461589D+00 -0.265624D-01 -0.353953D+01 -0.167844D-01
      3   0.113328D+01  0.126423D+00 -0.473481D+00 -0.324520D+00 -0.420672D+00
                81            82            83            84            85 
      1   0.193082D+01 -0.128021D+01  0.210418D-01 -0.574770D+00 -0.152401D+00
      2   0.836940D+00 -0.197279D+01 -0.349394D+00  0.905238D-02 -0.754450D+00
      3   0.747334D-01  0.331506D+01  0.137981D+01  0.105755D+01  0.513774D+01
                86            87            88            89            90 
      1   0.337409D-01 -0.347570D+01 -0.203241D+00  0.165968D+00 -0.583859D+00
      2  -0.197948D+01 -0.171734D+01 -0.217369D+01 -0.185077D+01 -0.766760D+00
      3   0.891223D+01  0.236172D+01  0.202893D+01  0.225943D+01  0.220376D+01
                91            92            93            94            95 
      1  -0.172452D+01 -0.123166D+01  0.450627D+00 -0.897527D+00 -0.933692D+00
      2  -0.721120D+00  0.294175D+00  0.389597D+01 -0.790725D+00 -0.578455D+00
      3  -0.453691D+01 -0.435686D+01  0.154403D+01 -0.289945D+01 -0.293445D+01
                96            97            98            99           100 
      1  -0.121914D+00  0.730242D+00  0.503482D+00 -0.441319D+00  0.139465D+01
      2   0.191916D+01  0.816029D+00  0.494126D+00 -0.160241D+01 -0.117216D+01
      3   0.107428D+01  0.148664D+01  0.138077D+01 -0.657430D+00 -0.531245D+01
               101           102           103           104           105 
      1  -0.166957D+01  0.316833D+01 -0.148171D+01  0.161064D+01 -0.322382D+01
      2   0.515095D+00  0.415062D+00  0.675604D+00 -0.617027D+00 -0.328546D+00
      3   0.440671D+01 -0.247138D+01  0.681067D+01 -0.568407D+01  0.255501D+01
               106           107           108           109           110 
      1   0.210738D+01 -0.153522D+01  0.232446D+01 -0.382906D+00  0.887125D+00
      2  -0.144520D+01  0.286906D+00 -0.440095D-01  0.718250D+00  0.392216D-01
      3  -0.408175D+01  0.321129D+01 -0.293547D+01 -0.334589D+00  0.348158D+00
               111           112           113           114           115 
      1   0.206101D+01  0.963084D+00 -0.199042D+01 -0.240371D+01  0.161513D+01
      2  -0.196880D+00  0.686688D-01 -0.295234D-01  0.362182D+00 -0.230864D+01
      3   0.597352D+00  0.123461D+01 -0.822115D+00 -0.903908D+00  0.252895D+01
               116           117           118           119           120 
      1  -0.159210D+01 -0.137027D+02  0.197466D+01  0.281922D+01  0.121229D+01
      2   0.440403D+00  0.921775D+00  0.265037D+00 -0.542984D+00  0.329666D+00
      3  -0.111687D+01 -0.218737D+01 -0.741685D+00 -0.268857D+01 -0.121377D+01
               121           122           123           124           125 
      1   0.229604D+01  0.126952D+02  0.340359D+01  0.146823D+01  0.557457D+01
      2  -0.229670D+01  0.928501D+00  0.313314D+01 -0.215833D+01  0.121726D+01
      3   0.743304D-01 -0.774572D+01 -0.274975D+01 -0.593857D+00 -0.225310D+01
               126           127           128           129           130 
      1   0.381395D+01 -0.650968D+00 -0.227162D+01 -0.130639D+01 -0.107495D+01
      2   0.175627D+01  0.160193D+02  0.351996D+01 -0.568502D+01  0.371131D+01
      3  -0.252015D+01  0.638715D+01  0.320931D+00 -0.236058D+01  0.313620D+01
               131           132           133           134           135 
      1  -0.617033D+00  0.539832D+00 -0.537973D+00  0.244117D+01  0.449680D+00
      2   0.271361D+01 -0.179868D+01 -0.790520D+01 -0.195672D+01  0.545536D+01
      3   0.118147D+01 -0.179878D+01 -0.221282D+01 -0.650349D+00  0.223010D+01
               136           137           138           139           140 
      1  -0.287934D+01  0.444723D+01  0.306400D+00  0.370574D+01 -0.485399D+01
      2  -0.406022D+01  0.282237D+01  0.948880D+00  0.403594D+01 -0.140961D+01
      3  -0.247222D-01 -0.298072D+01  0.227647D+00  0.285339D+00  0.349939D+01
               141           142           143           144           145 
      1   0.520038D+00 -0.824242D+00  0.282762D+01 -0.865588D+00 -0.107306D+01
      2  -0.155381D+01 -0.260157D+01 -0.454803D-02  0.219612D+00  0.243385D+01
      3  -0.218679D+01 -0.561524D+00 -0.182964D+01  0.853611D+00 -0.398972D+01
               146           147           148           149           150 
      1  -0.145723D+01 -0.668233D+00 -0.142256D+01 -0.437567D+01 -0.269570D+01
      2   0.136846D+01  0.192469D+01  0.121527D+01  0.403935D+01  0.445380D+01
      3  -0.516102D+01 -0.315257D+00 -0.326753D+01 -0.185754D+02 -0.222236D+01
               151           152           153           154           155 
      1  -0.440559D+00  0.536003D-01 -0.907302D+00  0.230415D+01 -0.150202D+01
      2   0.902359D+00  0.263004D+01  0.377886D+00  0.756324D+01 -0.355755D+01
      3  -0.453127D+00 -0.372167D+01 -0.232987D+01  0.558962D+01 -0.774587D+01
               156           157           158           159           160 
      1   0.141615D+01 -0.195772D+01  0.175284D+01 -0.231073D+01  0.723664D+00
      2   0.583152D+01 -0.375381D+01  0.427683D+01 -0.454992D+01  0.393164D+01
      3   0.100722D+01 -0.590758D+01  0.733780D+01 -0.208493D+01  0.101847D+01
               161           162           163           164           165 
      1  -0.138825D+00  0.909751D+00  0.248602D-01 -0.152357D+00 -0.270094D-01
      2  -0.261253D+01  0.199478D+01 -0.264358D+01 -0.208216D+00  0.885783D+00
      3  -0.319213D+01  0.192696D+01  0.886651D+00 -0.123265D+01  0.998098D-01
               166           167           168           169           170 
      1  -0.371058D+00 -0.351808D+00 -0.178240D+00  0.237224D+00  0.363789D+01
      2  -0.361946D+00 -0.172432D+01 -0.996209D+00  0.133869D-01 -0.266355D+00
      3  -0.676699D+00 -0.781404D+00  0.229894D+01  0.296530D+00  0.309520D+01
               171 
      1  -0.126678D+01
      2  -0.245590D+02
      3   0.138082D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.228400D+01  0.171986D+02 -0.183220D+02  0.216200D+02 -0.211926D+02
      2  -0.429085D+01 -0.703237D+01  0.793961D+01 -0.102944D+02  0.505891D+01
      3   0.657485D+01 -0.101663D+02  0.103823D+02 -0.113257D+02  0.161337D+02
      4   0.204497D+02 -0.182034D+02  0.239448D+01 -0.250865D+02 -0.143400D+02
      5  -0.184182D+02 -0.104310D+01  0.403714D+01 -0.189171D+01 -0.857948D+01
      6  -0.658082D+00  0.210386D+01 -0.560368D-01  0.187564D+01  0.370265D+01
                 6             7             8             9            10 
      1   0.880548D+00 -0.221088D+02  0.244860D+01  0.104795D+02 -0.899781D+01
      2   0.210307D+00  0.691605D+01 -0.578286D+00  0.102500D+02  0.606143D+00
      3  -0.109086D+01  0.151928D+02 -0.187031D+01 -0.207294D+02  0.839167D+01
      4  -0.101736D+02  0.459562D+01 -0.118088D+02  0.295421D+01 -0.776725D+01
      5   0.189523D+01  0.420827D+00  0.159077D+01  0.329000D+02  0.117536D+02
      6   0.161947D+01  0.570787D+00  0.151469D+01 -0.520108D+01 -0.484751D+01
                11            12            13            14            15 
      1  -0.510405D+01  0.113943D+02 -0.678550D+01  0.147701D+02  0.376876D+01
      2   0.779036D+00 -0.802324D+01  0.302212D+01 -0.183607D+02 -0.649522D+01
      3   0.432501D+01 -0.337108D+01  0.376339D+01  0.359063D+01  0.272646D+01
      4   0.695930D+01 -0.211842D+01  0.149402D+02  0.641241D+01  0.545394D+01
      5   0.122229D+01 -0.129676D+01  0.314916D+01  0.531464D+01  0.149152D+01
      6  -0.230150D+00 -0.367671D-01  0.743065D+00 -0.801694D+01  0.162070D+01
                16            17            18            19            20 
      1   0.151076D+02  0.261371D+01  0.423286D+01 -0.121112D+02 -0.131298D+01
      2  -0.753960D+01 -0.385729D+01 -0.984273D+00  0.156386D+02  0.134689D+01
      3  -0.756805D+01  0.124359D+01 -0.324859D+01 -0.352740D+01 -0.339092D-01
      4  -0.285159D+01  0.528295D+01  0.135709D+01  0.629288D+01  0.173092D+01
      5  -0.165714D+01  0.242006D+01 -0.135889D+02  0.309771D+01 -0.904659D+00
      6  -0.606950D+00 -0.235831D+01  0.266620D+01  0.259700D+01 -0.855704D+00
                21            22            23            24            25 
      1   0.678018D+00 -0.140681D+01 -0.267443D+00  0.301826D+01 -0.702852D+01
      2   0.436842D+00  0.210434D-02 -0.376126D+01 -0.154660D+01  0.212834D+01
      3  -0.111486D+01  0.140470D+01  0.402870D+01 -0.147166D+01  0.490018D+01
      4   0.164530D+01 -0.108516D+02  0.111156D+01 -0.376143D+00 -0.504830D+00
      5   0.974545D+00  0.987290D+00  0.479603D+00  0.241554D+00  0.109983D+01
      6   0.464492D+00 -0.586147D+00  0.150208D+01 -0.347189D+01 -0.129174D+01
                26            27            28            29            30 
      1   0.164155D+01  0.103753D+02  0.296031D+01  0.901347D+01 -0.160957D+01
      2  -0.528498D+01  0.123111D+02 -0.742646D+01 -0.846681D+01 -0.261112D+01
      3   0.364343D+01 -0.226864D+02  0.446615D+01 -0.546659D+00  0.422068D+01
      4  -0.241180D+01 -0.673614D-01 -0.127574D+01 -0.989479D+01 -0.696021D+01
      5  -0.123031D+01  0.176939D+01 -0.379977D+01 -0.744125D+01 -0.940521D+01
      6   0.982472D+00  0.470756D+01 -0.568808D+01 -0.136270D+01 -0.357265D+01
                31            32            33            34            35 
      1  -0.158710D+01  0.577164D+01  0.426169D+00 -0.297970D+01 -0.384474D+01
      2  -0.305224D+01 -0.137933D+02  0.590177D+01 -0.160117D+00 -0.295456D+01
      3   0.463935D+01  0.802164D+01 -0.632794D+01  0.313981D+01  0.679930D+01
      4  -0.160915D+02 -0.200090D+02 -0.516923D+01 -0.134996D+02 -0.176483D+01
      5  -0.155102D+02 -0.712430D+01 -0.103479D+02 -0.489104D+01 -0.368620D+01
      6  -0.200909D+01 -0.838764D+01 -0.596739D+01 -0.409931D+00 -0.442611D+00
                36            37            38            39            40 
      1  -0.276902D+01 -0.112105D+02 -0.135498D+02  0.411396D+01 -0.220372D+02
      2   0.224974D+00  0.812695D+01  0.636701D+01  0.557676D+00  0.119111D+02
      3   0.254405D+01  0.308351D+01  0.718275D+01 -0.467164D+01  0.101261D+02
      4  -0.330705D+01 -0.170268D+02  0.755505D+01  0.490613D+01  0.991532D+01
      5   0.280347D+01  0.496180D+01  0.529733D+01  0.481309D+01  0.112480D+02
      6  -0.695624D+01  0.455076D+01 -0.353670D+00 -0.321316D+01 -0.118221D+01
                41            42            43            44            45 
      1  -0.278722D+01  0.376708D+01  0.252474D+01  0.137294D+01 -0.357101D+01
      2   0.703807D+01 -0.430349D+01 -0.803959D+00 -0.782273D+00 -0.729018D+01
      3  -0.425084D+01  0.536409D+00 -0.172078D+01 -0.590665D+00  0.108612D+02
      4  -0.144029D+02 -0.470325D+01  0.712191D+01 -0.488000D+01 -0.663135D+01
      5  -0.286861D+01 -0.788302D+01  0.899176D+01 -0.625013D+01 -0.142951D+02
      6   0.387196D+01  0.618235D+01 -0.327134D+01  0.558233D+01  0.332530D+01
                46            47            48            49            50 
      1   0.117199D+02  0.809646D+01 -0.103724D+02  0.712720D+01 -0.311563D+01
      2  -0.145725D+01 -0.173973D+00  0.371355D+01 -0.116744D+00  0.933483D+01
      3  -0.102627D+02 -0.792249D+01  0.665882D+01 -0.701046D+01 -0.621919D+01
      4   0.641563D+01 -0.145916D+02  0.816213D+01 -0.156838D+02 -0.678741D+00
      5  -0.439905D+01  0.104230D+02 -0.124532D+02  0.951348D+01 -0.187865D+02
      6   0.160785D+02 -0.104724D+02 -0.117331D+01 -0.117704D+02 -0.330715D+01
                51            52            53            54            55 
      1   0.130764D+01 -0.933578D+01  0.488726D-02 -0.770062D+01  0.115745D+02
      2   0.383982D+01  0.261857D+01  0.396086D+01 -0.547542D+01 -0.106829D+02
      3  -0.514745D+01  0.671721D+01 -0.396575D+01  0.131760D+02 -0.891582D+00
      4  -0.119377D+02  0.639929D+01 -0.862325D+01 -0.148717D+01  0.545292D+01
      5  -0.583198D+00 -0.114955D+02 -0.237205D+01  0.100614D+02 -0.211197D+01
      6  -0.140969D+02 -0.708205D+00 -0.101280D+02 -0.288284D+01  0.424791D+01
                56            57            58            59            60 
      1  -0.105346D+02  0.722913D+00 -0.762772D+01 -0.107898D+02 -0.334833D+01
      2   0.175269D+02 -0.299243D+01  0.140009D+02  0.189332D+02  0.555044D+01
      3  -0.699236D+01  0.226952D+01 -0.637318D+01 -0.814340D+01 -0.220211D+01
      4  -0.329577D+01  0.308584D+01  0.328351D+01  0.132152D+02 -0.321269D+01
      5   0.200347D+01  0.269376D+01  0.590886D+00 -0.263990D+01  0.127111D+01
      6  -0.559104D+01  0.902400D+01 -0.493322D+01  0.492138D+01  0.152591D+01
                61            62            63            64            65 
      1   0.281275D+01 -0.115496D+01  0.186080D+01  0.174010D+02  0.657435D+01
      2  -0.330501D+01  0.590673D+01 -0.467450D+01 -0.650046D+01  0.115281D+01
      3   0.492261D+00 -0.475178D+01  0.281370D+01 -0.109005D+02 -0.772716D+01
      4   0.384852D+01 -0.277147D+01  0.796958D+01  0.177947D+02  0.198626D+02
      5   0.341636D+01  0.273400D+01 -0.125518D+01  0.129072D+02  0.839964D+01
      6   0.924195D+01 -0.144597D+01 -0.121258D+02  0.549826D+01  0.400029D+01
                66            67            68            69            70 
      1   0.389153D+01  0.978449D+01 -0.133252D+02 -0.495216D+01  0.600588D+01
      2  -0.347998D+01  0.265488D-01  0.298124D+02  0.173043D+01 -0.353984D+01
      3  -0.411553D+00 -0.981104D+01 -0.164872D+02  0.322173D+01 -0.246604D+01
      4   0.754374D+01  0.259412D+02  0.393153D+02  0.108037D+02  0.844237D+01
      5   0.147599D+02  0.104476D+02  0.135727D+02  0.149619D+02  0.150104D+02
      6   0.540385D+01  0.611637D+01  0.139501D+02  0.148216D+02  0.594142D+01
                71            72            73            74            75 
      1  -0.307445D+01 -0.527733D+01  0.138307D+01 -0.773295D-01 -0.303871D+00
      2   0.219925D+01 -0.305681D+01 -0.497772D+01  0.310083D+00  0.354643D+00
      3   0.875195D+00  0.833413D+01  0.359465D+01 -0.232754D+00 -0.507724D-01
      4   0.847046D+01  0.120659D+02 -0.629067D+00  0.120032D+01 -0.100639D+01
      5   0.127919D+02  0.168161D+02 -0.121279D+01 -0.370845D+00  0.584273D+01
      6   0.135090D+02  0.110268D+02 -0.111474D+01  0.144738D+00  0.229895D+00
                76            77            78            79            80 
      1   0.713808D+00 -0.393282D+01  0.469641D+00  0.119690D+01  0.270807D+01
      2   0.565395D+00  0.479927D+00 -0.135498D+01  0.592644D+00 -0.119068D+01
      3  -0.127920D+01  0.345290D+01  0.885340D+00 -0.178955D+01 -0.151739D+01
      4   0.265058D+01 -0.707799D-01 -0.158929D+00 -0.887263D-01  0.568377D+00
      5   0.155090D+00 -0.556081D+00 -0.188615D+00  0.534784D+01  0.502785D+00
      6   0.164412D+00 -0.121235D+01  0.668605D+01  0.200909D+00  0.521638D+01
                81            82            83            84            85 
      1  -0.196254D+02 -0.985576D+00 -0.297120D+01 -0.247668D+01 -0.413648D+01
      2  -0.165495D+02  0.395261D+01  0.348079D+01  0.206445D+01  0.419982D+01
      3   0.361749D+02 -0.296704D+01 -0.509590D+00  0.412225D+00 -0.633387D-01
      4  -0.259543D+00  0.155201D-01  0.335929D+01  0.112178D+01  0.238052D+01
      5  -0.449505D+00 -0.166152D+01  0.762922D+00  0.110226D+01  0.103061D+01
      6  -0.695653D+01  0.216237D+01  0.113260D+01  0.808425D+00  0.866502D+00
                86            87            88            89            90 
      1  -0.177133D+02 -0.293168D+01 -0.365359D+01 -0.407600D+01 -0.516630D+01
      2   0.285533D+02  0.579933D+01  0.225076D+01  0.460989D+01  0.350103D+01
      3  -0.108399D+02 -0.286766D+01  0.140283D+01 -0.533894D+00  0.166527D+01
      4  -0.111864D+02 -0.293593D+01  0.533935D+00 -0.293523D+01 -0.239753D+01
      5  -0.300746D+01 -0.373519D+01  0.209667D+01 -0.277993D+01 -0.680569D+00
      6   0.894426D+01  0.666127D+01  0.122924D+01  0.823329D+01  0.479892D+01
                91            92            93            94            95 
      1   0.428978D+02  0.546551D+01 -0.108307D+02  0.168925D+02  0.582831D+01
      2  -0.244478D+02 -0.347677D+01  0.741932D+01 -0.942901D+01 -0.269257D+01
      3  -0.184500D+02 -0.198874D+01  0.341142D+01 -0.746346D+01 -0.313574D+01
      4   0.474537D+01  0.588237D+01 -0.120706D+01  0.875796D+01  0.413230D+01
      5  -0.163502D+02 -0.164991D+01  0.966622D+01 -0.753514D+01 -0.343287D+01
      6  -0.267183D+01 -0.102749D+01  0.103547D+01 -0.320591D+01 -0.180629D+01
                96            97            98            99           100 
      1  -0.480744D+01 -0.500207D+01 -0.376235D+00  0.504788D+01 -0.256088D+01
      2   0.316276D+01  0.428340D+01  0.543525D+00 -0.456260D+01  0.811063D+01
      3   0.164468D+01  0.718674D+00 -0.167290D+00 -0.485277D+00 -0.554975D+01
      4  -0.297113D+01 -0.823222D+00 -0.168525D+01  0.763245D+00 -0.875630D+01
      5   0.447471D+01  0.908004D+01  0.119129D+01 -0.626477D+01  0.298786D+01
      6   0.189743D+01  0.786114D+00  0.112788D+01 -0.823164D+00 -0.591850D+01
               101           102           103           104           105 
      1   0.784527D+01 -0.234667D+01  0.624197D+01 -0.133701D+02  0.409796D+01
      2  -0.152878D+02  0.382495D+01 -0.115888D+02  0.242617D+02 -0.682587D+01
      3   0.744251D+01 -0.147827D+01  0.534678D+01 -0.108917D+02  0.272791D+01
      4   0.127954D+02 -0.489755D+01  0.106151D+02 -0.119379D+02  0.395570D+01
      5  -0.296459D+01  0.299415D+01 -0.150958D+01  0.257919D+01 -0.140549D+01
      6   0.754665D+01 -0.597883D+01  0.561758D+01 -0.101599D+02  0.720910D+01
               106           107           108           109           110 
      1  -0.355516D+01  0.623694D+01 -0.527791D+01 -0.148272D+01  0.160214D+01
      2   0.459380D+01 -0.850453D+01  0.483656D+01  0.187541D+01 -0.199273D+01
      3  -0.103864D+01  0.226759D+01  0.441354D+00 -0.392690D+00  0.390593D+00
      4  -0.554670D+01  0.551240D+01 -0.489635D+01  0.444004D+00  0.309801D+01
      5   0.301119D+01 -0.243652D+01  0.248863D+01 -0.124501D+01  0.517339D-01
      6  -0.626907D+01  0.102096D+02 -0.740393D+01  0.768499D+00 -0.212214D+01
               111           112           113           114           115 
      1   0.154640D+01  0.103250D+01 -0.329512D+01 -0.260963D+01  0.929337D+00
      2  -0.937323D+00 -0.111160D+01  0.445723D+01  0.309310D+01 -0.116524D+01
      3  -0.609078D+00  0.790971D-01 -0.116210D+01 -0.483467D+00  0.235906D+00
      4   0.891433D+00  0.290230D+01 -0.899073D+00 -0.100259D+01  0.306948D+01
      5   0.168819D+01  0.969447D-01 -0.272077D+00 -0.296377D+00  0.144123D+01
      6  -0.322221D+01 -0.134724D+01  0.340454D+01  0.611774D+01 -0.314372D+01
               116           117           118           119           120 
      1  -0.568569D+01 -0.760739D+01  0.225441D+01  0.212763D+01  0.200376D+01
      2   0.727667D+01  0.158513D+01 -0.342000D+01 -0.278896D+01 -0.370430D+01
      3  -0.159098D+01  0.602227D+01  0.116558D+01  0.661325D+00  0.170054D+01
      4  -0.161276D+01 -0.284515D+01  0.350231D+01  0.659928D+01  0.153059D+01
      5  -0.779280D+00 -0.965527D+00  0.642358D+01  0.415461D+01  0.807944D+01
      6   0.766737D+01  0.196548D+02  0.213577D+01  0.519625D+01  0.233437D+01
               121           122           123           124           125 
      1   0.338578D+01 -0.309538D+01 -0.509211D+01  0.109081D+01 -0.322274D+01
      2  -0.407301D+01 -0.118826D+01 -0.680845D+01 -0.273511D+01 -0.433902D+01
      3   0.687227D+00  0.428364D+01  0.119006D+02  0.164430D+01  0.756176D+01
      4   0.639035D+01  0.126358D+02  0.706585D+01  0.937347D+00  0.482372D+01
      5   0.669753D+01  0.106325D+02  0.105566D+02  0.625584D+01  0.623507D+01
      6   0.552590D+01  0.176168D+02  0.107786D+02  0.236866D+01  0.979483D+01
               126           127           128           129           130 
      1  -0.459817D+01 -0.952032D+01 -0.572832D+01  0.123217D+02 -0.491991D+01
      2  -0.561803D+01  0.751472D+00  0.266920D+01  0.206544D+01  0.277909D+01
      3   0.102162D+02  0.876884D+01  0.305912D+01 -0.143871D+02  0.214082D+01
      4   0.472641D+01  0.601850D+01  0.374739D+01 -0.325341D+01  0.444092D+01
      5   0.787795D+01 -0.137556D+02 -0.395747D+01  0.617126D+01 -0.421317D+01
      6   0.767850D+01 -0.752760D+01 -0.568499D+01  0.705437D+01 -0.394505D+01
               131           132           133           134           135 
      1  -0.510596D+01  0.453688D+01  0.897934D+01  0.392331D+01 -0.110553D+02
      2   0.247230D+01 -0.129271D+01  0.143770D+01 -0.747235D+00 -0.338379D+01
      3   0.263366D+01 -0.324417D+01 -0.104170D+02 -0.317608D+01  0.144391D+02
      4   0.139767D+01  0.589580D+00 -0.247718D+01  0.101886D-01  0.220769D+01
      5  -0.144376D+00  0.992222D+00  0.745415D+01  0.150780D+01 -0.504939D+01
      6  -0.488779D+01  0.733134D+01  0.484301D+01  0.618737D+01 -0.622612D+01
               136           137           138           139           140 
      1   0.120493D+02 -0.485211D+01  0.242791D+01 -0.491368D+01 -0.217419D+01
      2  -0.702244D+01  0.157765D+00 -0.551245D+01 -0.324347D+00  0.638281D+01
      3  -0.502690D+01  0.469435D+01  0.308454D+01  0.523802D+01 -0.420862D+01
      4  -0.166076D+02  0.148054D+02 -0.855226D+01  0.156296D+02 -0.173564D+02
      5   0.192453D+02 -0.120283D+02  0.158897D+02 -0.126350D+02  0.135990D+02
      6  -0.115672D+02  0.110973D+02 -0.835764D+01  0.110993D+02 -0.158390D+02
               141           142           143           144           145 
      1   0.321088D+01  0.128707D+01  0.219956D+01 -0.156805D+01  0.104605D+02
      2   0.298315D+00 -0.404369D+01  0.109556D+01 -0.390669D+01 -0.209274D+01
      3  -0.350920D+01  0.275662D+01 -0.329512D+01  0.547474D+01 -0.836776D+01
      4   0.973980D+01 -0.542345D+01  0.618805D+01 -0.738198D+01  0.851752D+01
      5  -0.108013D+02  0.121070D+02 -0.795621D+01  0.111211D+02  0.217240D+01
      6   0.133345D+02 -0.650106D+01  0.998247D+01 -0.920678D+01 -0.741970D+00
               146           147           148           149           150 
      1   0.751759D+01  0.312725D+01  0.146499D+02  0.853836D+01  0.566906D-01
      2  -0.191464D+01 -0.105225D+01 -0.506626D+01  0.572326D+01  0.174523D+01
      3  -0.560295D+01 -0.207500D+01 -0.958368D+01 -0.142616D+02 -0.180192D+01
      4   0.134244D+02  0.122361D+01  0.171055D+02  0.326953D+02  0.352663D+01
      5   0.358680D+00  0.215451D+01 -0.170791D+01  0.323949D+01  0.797653D+01
      6  -0.157272D+01  0.336966D+00 -0.154435D+01 -0.459917D+01  0.218548D+01
               151           152           153           154           155 
      1   0.758717D+01  0.159566D+01  0.140732D+00  0.503728D+02 -0.182530D+02
      2  -0.291068D+01  0.625704D+00 -0.127364D+01 -0.208909D+02  0.585869D+01
      3  -0.467649D+01 -0.222137D+01  0.113291D+01 -0.294819D+02  0.123943D+02
      4   0.231133D+01  0.630440D+01  0.478357D+01 -0.249213D+02  0.182973D+02
      5   0.360462D+01  0.529530D+01 -0.352571D-01  0.246817D+01 -0.724909D+00
      6   0.106867D+01  0.237322D+01  0.106545D+01  0.184513D+01 -0.181466D+01
               156           157           158           159           160 
      1   0.696769D+01 -0.258446D+02  0.142439D+02 -0.199618D+01  0.151614D+02
      2  -0.237426D+01  0.848555D+01 -0.814116D-02 -0.516272D+00 -0.607613D+01
      3  -0.459343D+01  0.173591D+02 -0.142357D+02  0.251245D+01 -0.908528D+01
      4  -0.294985D+01  0.241707D+02 -0.198599D+02  0.444031D+01 -0.653117D+01
      5   0.785199D+01  0.333085D+00  0.253075D+01 -0.706601D+01  0.862052D+01
      6  -0.128960D+01 -0.194844D+01  0.115610D+01  0.224232D+01 -0.174424D+01
               161           162           163           164           165 
      1  -0.372847D+01  0.516961D+01  0.143142D+01 -0.191128D+01 -0.557054D+01
      2   0.495629D+00 -0.387676D+01 -0.352830D+01  0.911588D+00  0.362935D+01
      3   0.323284D+01 -0.129285D+01  0.209688D+01  0.999691D+00  0.194119D+01
      4   0.667683D+01 -0.566341D+01 -0.180525D+01  0.273990D+01  0.294880D+00
      5  -0.503040D+01  0.248493D+01 -0.504126D+01  0.266011D+00  0.791736D+01
      6   0.173908D+01 -0.881589D+00  0.851323D+00 -0.134015D+00  0.208360D+00
               166           167           168           169           170 
      1  -0.276243D+01  0.298171D+00 -0.103945D+01 -0.770091D+01 -0.818441D+00
      2   0.121021D+01 -0.127517D+01  0.285071D+00  0.877659D+01  0.288539D+00
      3   0.155222D+01  0.976999D+00  0.754381D+00 -0.107568D+01  0.529902D+00
      4   0.510383D+01  0.685540D+00 -0.491204D+01  0.486635D+00 -0.534395D+01
      5   0.753067D+00 -0.453617D+01 -0.155422D+01  0.165995D+02 -0.888094D+00
      6  -0.151442D+01  0.100109D+01  0.680338D+01 -0.144464D+01  0.632627D+01
               171 
      1  -0.120774D+02
      2  -0.210439D+02
      3   0.331214D+02
      4  -0.189084D+01
      5  -0.477166D+02
      6   0.559531D+01
 Leave Link  716 at Thu Aug 12 21:55:04 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.865141D+02  0.859854D+00 -0.197771D+01
      2   0.859854D+00  0.760714D+02  0.185474D+01
      3  -0.197771D+01  0.185474D+01  0.734811D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.359035D+00 -0.708661D+00  0.124305D+01
      2   0.515808D+01 -0.709428D+01  0.335986D+02
      3   0.569954D+01 -0.256053D+02  0.778775D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.716563D+02 -0.183929D+02  0.467835D+01
      2  -0.394400D+02  0.198477D+02 -0.963715D+01
      3  -0.322163D+02 -0.145476D+01  0.495880D+01
      4  -0.227689D+02  0.409144D+02 -0.186292D+02
      5   0.994301D+01 -0.213815D+02  0.632259D+02
      6  -0.566621D+01  0.941161D+00 -0.933786D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.348744D-01  0.302504D+01 -0.331769D+01  0.450222D+01 -0.350071D+01
      2   0.302504D+01 -0.294208D+01  0.843466D-01 -0.350071D+01 -0.313520D+01
      3  -0.331769D+01  0.843466D-01  0.544135D+00  0.533506D-01 -0.202657D+01
                 6             7             8             9            10 
      1   0.533506D-01 -0.423774D+01  0.370745D+00 -0.595427D+00  0.170385D+01
      2  -0.202657D+01  0.370745D+00 -0.204409D+01  0.243155D+00 -0.261119D+01
      3   0.561872D+00 -0.595427D+00  0.243155D+00  0.736646D+01  0.393667D+01
                11            12            13            14            15 
      1  -0.261119D+01  0.393667D+01 -0.620405D+01  0.297089D+01  0.130387D-01
      2   0.322547D+01  0.216463D+00  0.297089D+01  0.416673D+01  0.278403D+01
      3   0.216463D+00 -0.308740D+00  0.130387D-01  0.278403D+01  0.523560D+00
                16            17            18            19            20 
      1   0.537948D+01  0.954892D-01  0.202792D+00 -0.280063D+01  0.367718D+01
      2   0.954892D-01  0.273927D+01  0.104748D+01  0.367718D+01 -0.658315D+00
      3   0.202792D+00  0.104748D+01 -0.528630D+01 -0.237422D+01  0.181479D+00
                21            22            23            24            25 
      1  -0.237422D+01  0.659560D+01 -0.428953D+00  0.282786D+00 -0.225251D+01
      2   0.181479D+00 -0.428953D+00 -0.910056D+00 -0.117074D+01  0.394073D+00
      3  -0.509281D+00  0.282786D+00 -0.117074D+01  0.107764D+01 -0.973748D+00
                26            27            28            29            30 
      1   0.394073D+00 -0.973748D+00 -0.951889D+00 -0.136326D+01  0.127150D+01
      2  -0.111803D+01  0.103082D+00 -0.136326D+01  0.576042D+00  0.136053D+01
      3   0.103082D+00  0.624724D+01  0.127150D+01  0.136053D+01  0.548790D+00
                31            32            33            34            35 
      1   0.211384D+01  0.788613D+00  0.142177D+01  0.105351D+01  0.168323D+01
      2   0.788613D+00  0.267538D+01  0.163668D+01  0.168323D+01  0.186748D+01
      3   0.142177D+01  0.163668D+01  0.925901D+00  0.479135D+00  0.162080D+00
                36            37            38            39            40 
      1   0.479135D+00  0.369283D+01  0.273685D+01 -0.588471D+00  0.458309D+01
      2   0.162080D+00  0.273685D+01  0.184045D+00 -0.712496D+00 -0.706758D+00
      3  -0.236330D-02 -0.588471D+00 -0.712496D+00  0.527742D+00 -0.147648D+01
                41            42            43            44            45 
      1  -0.706758D+00 -0.147648D+01  0.437312D+00 -0.102783D+01 -0.729866D+00
      2   0.307887D+01  0.797806D+00 -0.102783D+01  0.447592D+00  0.126832D+01
      3   0.797806D+00  0.149376D+01 -0.729866D+00  0.126832D+01  0.266556D+01
                46            47            48            49            50 
      1   0.146125D+01  0.345500D+01 -0.436272D+01  0.376447D+01 -0.321083D+01
      2   0.345500D+01 -0.306369D+01  0.965316D-01 -0.321083D+01 -0.184528D+01
      3  -0.436272D+01  0.965316D-01  0.275163D+00  0.116657D+00 -0.365040D+01
                51            52            53            54            55 
      1   0.116657D+00 -0.365702D+01 -0.117940D+00  0.343733D+00  0.260778D+01
      2  -0.365040D+01 -0.117940D+00 -0.295837D+01 -0.618971D+00 -0.146260D+01
      3   0.208242D+00  0.343733D+00 -0.618971D+00  0.358295D+01  0.116248D+01
                56            57            58            59            60 
      1  -0.146260D+01  0.116248D+01 -0.117562D+01  0.293249D+01 -0.680334D+00
      2   0.415422D+01 -0.732411D+00  0.293249D+01  0.250181D+01  0.114331D+01
      3  -0.732411D+00  0.211912D+01 -0.680334D+00  0.114331D+01 -0.109359D+01
                61            62            63            64            65 
      1   0.140144D+01 -0.935607D+00  0.217460D+01 -0.346671D+01 -0.299984D+01
      2  -0.935607D+00  0.124423D+01 -0.665367D+00 -0.299984D+01 -0.249121D+01
      3   0.217460D+01 -0.665367D+00 -0.349566D+01 -0.188797D+01 -0.121199D+01
                66            67            68            69            70 
      1  -0.188797D+01 -0.553744D+01 -0.291344D+01 -0.102006D+01 -0.258336D+01
      2  -0.121199D+01 -0.291344D+01 -0.910858D+01 -0.270338D+01 -0.111314D+01
      3  -0.124835D+01 -0.102006D+01 -0.270338D+01 -0.277920D+01 -0.178037D+01
                71            72            73            74            75 
      1  -0.111314D+01 -0.178037D+01  0.595465D+00 -0.468650D+00 -0.959848D+00
      2  -0.241038D+01 -0.282376D+01 -0.468650D+00  0.194226D+00 -0.825940D-01
      3  -0.282376D+01 -0.372070D+01 -0.959848D+00 -0.825940D-01  0.215580D+00
                76            77            78            79            80 
      1  -0.115373D+01  0.168408D+00 -0.936238D-02 -0.142582D+01 -0.111331D+00
      2   0.168408D+00  0.528946D+00 -0.112923D+01 -0.111331D+00 -0.138023D+01
      3  -0.936238D-02 -0.112923D+01  0.352237D-01  0.142454D+00  0.502565D+00
                81            82            83            84            85 
      1   0.142454D+00 -0.122743D+01 -0.864563D+00 -0.100392D+01 -0.985985D+00
      2   0.502565D+00 -0.864563D+00 -0.103591D+01 -0.715004D-01 -0.941990D+00
      3  -0.846104D+01 -0.100392D+01 -0.715004D-01 -0.294323D+00 -0.795866D-01
                86            87            88            89            90 
      1  -0.941990D+00 -0.795866D-01 -0.133684D+01 -0.127655D+00 -0.163574D+00
      2  -0.695342D+01 -0.167316D+01 -0.127655D+00 -0.164271D+01 -0.158700D+01
      3  -0.167316D+01 -0.172603D+01 -0.163574D+00 -0.158700D+01 -0.674349D+00
                91            92            93            94            95 
      1  -0.790221D+01 -0.929670D+00  0.230327D+01 -0.347152D+01 -0.135085D+01
      2  -0.929670D+00 -0.129630D+01  0.175102D+00 -0.135085D+01 -0.618601D+00
      3   0.230327D+01  0.175102D+00 -0.166072D+01  0.115028D+01  0.496564D+00
                96            97            98            99           100 
      1   0.115028D+01  0.156160D+01  0.248065D+00 -0.123562D+01 -0.180454D+01
      2   0.496564D+00  0.248065D+00  0.432579D+00 -0.880719D-01  0.238490D+01
      3  -0.763105D+00 -0.123562D+01 -0.880719D-01  0.115921D+01 -0.102996D+01
               101           102           103           104           105 
      1   0.238490D+01 -0.102996D+01  0.206337D+01 -0.259722D+01  0.835483D+00
      2  -0.328986D+01  0.108867D+01 -0.259722D+01  0.497320D+01 -0.147589D+01
      3   0.108867D+01 -0.103697D+01  0.835483D+00 -0.147589D+01  0.124320D+01
               106           107           108           109           110 
      1  -0.156022D+01  0.133120D+01 -0.115263D+01 -0.127859D+00  0.603681D+00
      2   0.133120D+01 -0.242262D+01  0.158132D+01  0.603681D+00 -0.348094D+00
      3  -0.115263D+01  0.158132D+01 -0.141402D+01  0.218747D+00 -0.336334D+00
               111           112           113           114           115 
      1   0.218747D+00  0.447842D+00 -0.225391D+00 -0.305810D+00  0.899752D+00
      2  -0.336334D+00 -0.225391D+00  0.105854D+01  0.859277D+00 -0.463401D+00
      3  -0.744067D+00 -0.305810D+00  0.859277D+00  0.850330D+00 -0.696810D+00
               116           117           118           119           120 
      1  -0.463401D+00 -0.696810D+00  0.939981D+00  0.725419D+00  0.121634D+01
      2   0.200400D+01  0.142938D+01  0.725419D+00  0.128485D+01  0.552425D+00
      3   0.142938D+01  0.514090D+01  0.121634D+01  0.552425D+00  0.942872D+00
               121           122           123           124           125 
      1   0.124562D+01  0.120949D+01  0.798143D+00  0.968242D+00  0.457157D+00
      2   0.120949D+01  0.477672D+01  0.218717D+01  0.457157D+00  0.169997D+01
      3   0.798143D+00  0.218717D+01  0.300071D+01  0.578906D+00  0.168898D+01
               126           127           128           129           130 
      1   0.578906D+00 -0.544044D+01 -0.137958D+01  0.242826D+01 -0.147107D+01
      2   0.168898D+01 -0.137958D+01 -0.106184D+01  0.898224D+00 -0.729638D+00
      3   0.211044D+01  0.242826D+01  0.898224D+00 -0.310868D+01  0.586303D+00
               131           132           133           134           135 
      1  -0.729638D+00  0.586303D+00  0.195498D+01  0.540846D+00 -0.196418D+01
      2  -0.976655D+00  0.129330D+01  0.540846D+00  0.951326D+00 -0.773142D+00
      3   0.129330D+01 -0.108454D+01 -0.196418D+01 -0.773142D+00  0.251867D+01
               136           137           138           139           140 
      1   0.398279D+01 -0.263911D+01  0.243620D+01 -0.284124D+01  0.264924D+01
      2  -0.263911D+01  0.253912D+01 -0.132355D+01  0.264924D+01 -0.360862D+01
      3   0.243620D+01 -0.132355D+01  0.224277D+01 -0.135739D+01  0.234087D+01
               141           142           143           144           145 
      1  -0.135739D+01  0.146587D+01 -0.907254D+00  0.153814D+01  0.150965D+01
      2   0.234087D+01 -0.907254D+00  0.152879D+01 -0.145854D+01  0.133452D+01
      3  -0.226028D+01  0.153814D+01 -0.145854D+01  0.185100D+01  0.518823D+00
               146           147           148           149           150 
      1   0.133452D+01  0.518823D+00  0.267615D+01  0.223038D+01 -0.129999D+00
      2   0.160489D+01  0.114256D+00  0.223038D+01  0.581894D+01  0.607970D+00
      3   0.114256D+00  0.266879D+00 -0.129999D+00  0.607970D+00  0.129871D+01
               151           152           153           154           155 
      1   0.125351D+01  0.342909D+00  0.533094D+00  0.690902D+01 -0.293425D+01
      2   0.342909D+00  0.114850D+01  0.891479D+00 -0.293425D+01  0.219748D+01
      3   0.533094D+00  0.891479D+00 -0.113720D+00  0.985507D+00 -0.341050D+00
               156           157           158           159           160 
      1   0.985507D+00 -0.457561D+01  0.299245D+01 -0.261290D+00  0.261293D+01
      2  -0.341050D+00  0.299245D+01 -0.258547D+01  0.685413D+00 -0.685045D+00
      3   0.100191D+01 -0.261290D+00  0.685413D+00 -0.110542D+01  0.124281D+01
               161           162           163           164           165 
      1  -0.685045D+00  0.124281D+01  0.284220D+00 -0.289881D+00 -0.952999D+00
      2   0.948813D+00 -0.789833D+00 -0.289881D+00  0.226945D+00  0.438937D-01
      3  -0.789833D+00  0.207948D+00 -0.952999D+00  0.438937D-01  0.226174D+00
               166           167           168           169           170 
      1  -0.575938D+00  0.663816D+00  0.624898D-01 -0.193512D+01  0.254895D-01
      2   0.663816D+00  0.162757D+00 -0.100300D+01  0.254895D-01 -0.103611D+01
      3   0.624898D-01 -0.100300D+01 -0.407004D+00  0.205657D+01 -0.113154D+00
               171 
      1   0.205657D+01
      2  -0.113154D+00
      3  -0.968222D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.294439D+01  0.249126D+01  0.118668D+00  0.347899D+01  0.225235D+01
      2  -0.956094D+01  0.281906D+01  0.359106D+00  0.401166D+01 -0.857557D+01
      3  -0.830682D+01  0.579600D+01  0.697109D+00  0.137779D+02  0.105490D+02
                 6             7             8             9            10 
      1  -0.704321D+00  0.647198D+00  0.331068D+01 -0.219860D+00  0.333956D+01
      2   0.136835D+01 -0.937597D+01  0.811725D+00  0.214089D+02  0.756056D+01
      3   0.470088D+01 -0.906933D+00  0.583353D+01 -0.113181D+01  0.352468D+01
                11            12            13            14            15 
      1  -0.407549D+00  0.190451D+00 -0.791925D+00  0.331180D+01 -0.435349D+01
      2  -0.906137D+00  0.452519D+01 -0.435600D+01  0.370669D+01  0.396496D-01
      3  -0.462199D+01 -0.131171D+01  0.153272D+01 -0.953782D+01 -0.431273D+01
                16            17            18            19            20 
      1  -0.443950D+00  0.261243D+01 -0.278416D+01 -0.386981D+01  0.368252D+00
      2  -0.258641D+01  0.123862D+01 -0.547332D+01 -0.196213D+00  0.842936D+00
      3  -0.575322D+00 -0.371150D+01 -0.284972D+00  0.903493D+00 -0.468878D+01
                21            22            23            24            25 
      1  -0.112784D+01 -0.790306D+00  0.739303D+00  0.160572D+01 -0.457374D+00
      2   0.108862D+01  0.702311D+01 -0.843965D+00  0.161595D+01 -0.684800D+01
      3   0.143513D+01  0.260585D+01  0.639174D+00  0.283819D+01 -0.127563D+01
                26            27            28            29            30 
      1   0.528166D+01 -0.198933D+01  0.924834D+00  0.422115D-01  0.213619D+01
      2   0.952534D-01 -0.277725D+01 -0.905641D+01 -0.163854D+00 -0.293352D+01
      3   0.146910D+01 -0.401164D+00 -0.631393D+01  0.129701D+01 -0.204492D+01
                31            32            33            34            35 
      1   0.247487D+01 -0.617545D+01  0.107834D+01 -0.162364D+01  0.219290D+01
      2   0.881188D+01 -0.632230D+00 -0.505389D+01 -0.118763D+02 -0.370728D+01
      3   0.445502D+01  0.980469D+01 -0.429838D+00 -0.557401D+01 -0.225129D+01
                36            37            38            39            40 
      1   0.777528D+01  0.110539D+01 -0.131351D+00  0.124029D+01  0.193375D+01
      2   0.360587D+01  0.790240D+00  0.514538D-01  0.245509D+01 -0.888697D+00
      3   0.200116D+01  0.601866D+01 -0.171140D+01 -0.119518D+01  0.480660D+01
                41            42            43            44            45 
      1   0.240178D+01 -0.276749D+01  0.969951D+00  0.353063D+01 -0.154014D+01
      2  -0.326305D+01 -0.282442D+01 -0.362903D+00 -0.279619D+01 -0.714566D+01
      3   0.840269D+01  0.149993D+01  0.243275D+01  0.234703D+01  0.189530D+01
                46            47            48            49            50 
      1   0.337071D+01 -0.576193D+01  0.452672D+00 -0.610516D+01 -0.603850D+01
      2  -0.101249D+02 -0.682172D+01  0.128649D+02 -0.553025D+01  0.792797D+00
      3  -0.605313D+01 -0.396547D+00  0.284344D+01  0.389410D+01  0.493974D+01
                51            52            53            54            55 
      1  -0.111175D+02  0.865589D-01 -0.441425D+01  0.249644D+01 -0.185749D+01
      2  -0.926842D-01  0.583301D+01 -0.557187D+00  0.316472D+01  0.899167D+00
      3   0.473800D+01  0.266763D+01  0.372139D+01  0.441126D+00  0.619797D+01
                56            57            58            59            60 
      1   0.107174D+01 -0.588720D+01  0.101755D+01 -0.480959D+01 -0.312939D+01
      2   0.118571D+01  0.454067D+01 -0.138607D+01  0.202278D+00 -0.579152D-01
      3  -0.102425D+02  0.169270D+01  0.287747D+01  0.684303D+01 -0.270579D+01
                61            62            63            64            65 
      1  -0.446126D+01  0.671674D+01  0.867509D+01  0.137118D+01  0.267182D+01
      2  -0.141573D+01  0.333183D+00 -0.565869D+00  0.100626D+01  0.267498D+00
      3   0.288833D+01 -0.201571D+01  0.545176D+01  0.133314D+01 -0.533350D+01
                66            67            68            69            70 
      1  -0.324577D+01  0.235216D+00  0.498078D+01 -0.739799D+01  0.709012D+00
      2   0.566111D+01 -0.857822D+01  0.253158D+01  0.610775D+01 -0.159830D+00
      3  -0.528585D+00  0.425028D+01 -0.157207D+02 -0.319124D+01  0.121128D+01
                71            72            73            74            75 
      1   0.350781D+01 -0.314617D+01  0.852710D+00 -0.234619D+00  0.841388D-01
      2   0.578684D+01  0.418482D+01  0.126107D+01 -0.245861D+00 -0.168590D+00
      3  -0.215480D+01 -0.476835D+01  0.102243D+01 -0.427473D+00 -0.688836D+00
                76            77            78            79            80 
      1  -0.684938D-01 -0.562539D+00 -0.187683D-01  0.132751D+00  0.336256D+01
      2  -0.856557D+00  0.461589D+00 -0.265624D-01 -0.353953D+01 -0.167844D-01
      3   0.113328D+01  0.126423D+00 -0.473481D+00 -0.324520D+00 -0.420672D+00
                81            82            83            84            85 
      1   0.193082D+01 -0.128021D+01  0.210418D-01 -0.574770D+00 -0.152401D+00
      2   0.836940D+00 -0.197279D+01 -0.349394D+00  0.905238D-02 -0.754450D+00
      3   0.747334D-01  0.331506D+01  0.137981D+01  0.105755D+01  0.513774D+01
                86            87            88            89            90 
      1   0.337409D-01 -0.347570D+01 -0.203241D+00  0.165968D+00 -0.583859D+00
      2  -0.197948D+01 -0.171734D+01 -0.217369D+01 -0.185077D+01 -0.766760D+00
      3   0.891223D+01  0.236172D+01  0.202893D+01  0.225943D+01  0.220376D+01
                91            92            93            94            95 
      1  -0.172452D+01 -0.123166D+01  0.450627D+00 -0.897527D+00 -0.933692D+00
      2  -0.721120D+00  0.294175D+00  0.389597D+01 -0.790725D+00 -0.578455D+00
      3  -0.453691D+01 -0.435686D+01  0.154403D+01 -0.289945D+01 -0.293445D+01
                96            97            98            99           100 
      1  -0.121914D+00  0.730242D+00  0.503482D+00 -0.441319D+00  0.139465D+01
      2   0.191916D+01  0.816029D+00  0.494126D+00 -0.160241D+01 -0.117216D+01
      3   0.107428D+01  0.148664D+01  0.138077D+01 -0.657430D+00 -0.531245D+01
               101           102           103           104           105 
      1  -0.166957D+01  0.316833D+01 -0.148171D+01  0.161064D+01 -0.322382D+01
      2   0.515095D+00  0.415062D+00  0.675604D+00 -0.617027D+00 -0.328546D+00
      3   0.440671D+01 -0.247138D+01  0.681067D+01 -0.568407D+01  0.255501D+01
               106           107           108           109           110 
      1   0.210738D+01 -0.153522D+01  0.232446D+01 -0.382906D+00  0.887125D+00
      2  -0.144520D+01  0.286906D+00 -0.440095D-01  0.718250D+00  0.392216D-01
      3  -0.408175D+01  0.321129D+01 -0.293547D+01 -0.334589D+00  0.348158D+00
               111           112           113           114           115 
      1   0.206101D+01  0.963084D+00 -0.199042D+01 -0.240371D+01  0.161513D+01
      2  -0.196880D+00  0.686688D-01 -0.295234D-01  0.362182D+00 -0.230864D+01
      3   0.597352D+00  0.123461D+01 -0.822115D+00 -0.903908D+00  0.252895D+01
               116           117           118           119           120 
      1  -0.159210D+01 -0.137027D+02  0.197466D+01  0.281922D+01  0.121229D+01
      2   0.440403D+00  0.921775D+00  0.265037D+00 -0.542984D+00  0.329666D+00
      3  -0.111687D+01 -0.218737D+01 -0.741685D+00 -0.268857D+01 -0.121377D+01
               121           122           123           124           125 
      1   0.229604D+01  0.126952D+02  0.340359D+01  0.146823D+01  0.557457D+01
      2  -0.229670D+01  0.928501D+00  0.313314D+01 -0.215833D+01  0.121726D+01
      3   0.743304D-01 -0.774572D+01 -0.274975D+01 -0.593857D+00 -0.225310D+01
               126           127           128           129           130 
      1   0.381395D+01 -0.650968D+00 -0.227162D+01 -0.130639D+01 -0.107495D+01
      2   0.175627D+01  0.160193D+02  0.351996D+01 -0.568502D+01  0.371131D+01
      3  -0.252015D+01  0.638715D+01  0.320931D+00 -0.236058D+01  0.313620D+01
               131           132           133           134           135 
      1  -0.617033D+00  0.539832D+00 -0.537973D+00  0.244117D+01  0.449680D+00
      2   0.271361D+01 -0.179868D+01 -0.790520D+01 -0.195672D+01  0.545536D+01
      3   0.118147D+01 -0.179878D+01 -0.221282D+01 -0.650349D+00  0.223010D+01
               136           137           138           139           140 
      1  -0.287934D+01  0.444723D+01  0.306400D+00  0.370574D+01 -0.485399D+01
      2  -0.406022D+01  0.282237D+01  0.948880D+00  0.403594D+01 -0.140961D+01
      3  -0.247222D-01 -0.298072D+01  0.227647D+00  0.285339D+00  0.349939D+01
               141           142           143           144           145 
      1   0.520038D+00 -0.824242D+00  0.282762D+01 -0.865588D+00 -0.107306D+01
      2  -0.155381D+01 -0.260157D+01 -0.454803D-02  0.219612D+00  0.243385D+01
      3  -0.218679D+01 -0.561524D+00 -0.182964D+01  0.853611D+00 -0.398972D+01
               146           147           148           149           150 
      1  -0.145723D+01 -0.668233D+00 -0.142256D+01 -0.437567D+01 -0.269570D+01
      2   0.136846D+01  0.192469D+01  0.121527D+01  0.403935D+01  0.445380D+01
      3  -0.516102D+01 -0.315257D+00 -0.326753D+01 -0.185754D+02 -0.222236D+01
               151           152           153           154           155 
      1  -0.440559D+00  0.536003D-01 -0.907302D+00  0.230415D+01 -0.150202D+01
      2   0.902359D+00  0.263004D+01  0.377886D+00  0.756324D+01 -0.355755D+01
      3  -0.453127D+00 -0.372167D+01 -0.232987D+01  0.558962D+01 -0.774587D+01
               156           157           158           159           160 
      1   0.141615D+01 -0.195772D+01  0.175284D+01 -0.231073D+01  0.723664D+00
      2   0.583152D+01 -0.375381D+01  0.427683D+01 -0.454992D+01  0.393164D+01
      3   0.100722D+01 -0.590758D+01  0.733780D+01 -0.208493D+01  0.101847D+01
               161           162           163           164           165 
      1  -0.138825D+00  0.909751D+00  0.248602D-01 -0.152357D+00 -0.270094D-01
      2  -0.261253D+01  0.199478D+01 -0.264358D+01 -0.208216D+00  0.885783D+00
      3  -0.319213D+01  0.192696D+01  0.886651D+00 -0.123265D+01  0.998098D-01
               166           167           168           169           170 
      1  -0.371058D+00 -0.351808D+00 -0.178240D+00  0.237224D+00  0.363789D+01
      2  -0.361946D+00 -0.172432D+01 -0.996209D+00  0.133869D-01 -0.266355D+00
      3  -0.676699D+00 -0.781404D+00  0.229894D+01  0.296530D+00  0.309520D+01
               171 
      1  -0.126678D+01
      2  -0.245590D+02
      3   0.138082D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.228400D+01  0.171986D+02 -0.183220D+02  0.216200D+02 -0.211926D+02
      2  -0.429085D+01 -0.703237D+01  0.793961D+01 -0.102944D+02  0.505891D+01
      3   0.657485D+01 -0.101663D+02  0.103823D+02 -0.113257D+02  0.161337D+02
      4   0.204497D+02 -0.182034D+02  0.239448D+01 -0.250865D+02 -0.143400D+02
      5  -0.184182D+02 -0.104310D+01  0.403714D+01 -0.189171D+01 -0.857948D+01
      6  -0.658082D+00  0.210386D+01 -0.560368D-01  0.187564D+01  0.370265D+01
                 6             7             8             9            10 
      1   0.880548D+00 -0.221088D+02  0.244860D+01  0.104795D+02 -0.899781D+01
      2   0.210307D+00  0.691605D+01 -0.578286D+00  0.102500D+02  0.606143D+00
      3  -0.109086D+01  0.151928D+02 -0.187031D+01 -0.207294D+02  0.839167D+01
      4  -0.101736D+02  0.459562D+01 -0.118088D+02  0.295421D+01 -0.776725D+01
      5   0.189523D+01  0.420827D+00  0.159077D+01  0.329000D+02  0.117536D+02
      6   0.161947D+01  0.570787D+00  0.151469D+01 -0.520108D+01 -0.484751D+01
                11            12            13            14            15 
      1  -0.510405D+01  0.113943D+02 -0.678550D+01  0.147701D+02  0.376876D+01
      2   0.779036D+00 -0.802324D+01  0.302212D+01 -0.183607D+02 -0.649522D+01
      3   0.432501D+01 -0.337108D+01  0.376339D+01  0.359063D+01  0.272646D+01
      4   0.695930D+01 -0.211842D+01  0.149402D+02  0.641241D+01  0.545394D+01
      5   0.122229D+01 -0.129676D+01  0.314916D+01  0.531464D+01  0.149152D+01
      6  -0.230150D+00 -0.367671D-01  0.743065D+00 -0.801694D+01  0.162070D+01
                16            17            18            19            20 
      1   0.151076D+02  0.261371D+01  0.423286D+01 -0.121112D+02 -0.131298D+01
      2  -0.753960D+01 -0.385729D+01 -0.984273D+00  0.156386D+02  0.134689D+01
      3  -0.756805D+01  0.124359D+01 -0.324859D+01 -0.352740D+01 -0.339092D-01
      4  -0.285159D+01  0.528295D+01  0.135709D+01  0.629288D+01  0.173092D+01
      5  -0.165714D+01  0.242006D+01 -0.135889D+02  0.309771D+01 -0.904659D+00
      6  -0.606950D+00 -0.235831D+01  0.266620D+01  0.259700D+01 -0.855704D+00
                21            22            23            24            25 
      1   0.678018D+00 -0.140681D+01 -0.267443D+00  0.301826D+01 -0.702852D+01
      2   0.436842D+00  0.210434D-02 -0.376126D+01 -0.154660D+01  0.212834D+01
      3  -0.111486D+01  0.140470D+01  0.402870D+01 -0.147166D+01  0.490018D+01
      4   0.164530D+01 -0.108516D+02  0.111156D+01 -0.376143D+00 -0.504830D+00
      5   0.974545D+00  0.987290D+00  0.479603D+00  0.241554D+00  0.109983D+01
      6   0.464492D+00 -0.586147D+00  0.150208D+01 -0.347189D+01 -0.129174D+01
                26            27            28            29            30 
      1   0.164155D+01  0.103753D+02  0.296031D+01  0.901347D+01 -0.160957D+01
      2  -0.528498D+01  0.123111D+02 -0.742646D+01 -0.846681D+01 -0.261112D+01
      3   0.364343D+01 -0.226864D+02  0.446615D+01 -0.546659D+00  0.422068D+01
      4  -0.241180D+01 -0.673614D-01 -0.127574D+01 -0.989479D+01 -0.696021D+01
      5  -0.123031D+01  0.176939D+01 -0.379977D+01 -0.744125D+01 -0.940521D+01
      6   0.982472D+00  0.470756D+01 -0.568808D+01 -0.136270D+01 -0.357265D+01
                31            32            33            34            35 
      1  -0.158710D+01  0.577164D+01  0.426169D+00 -0.297970D+01 -0.384474D+01
      2  -0.305224D+01 -0.137933D+02  0.590177D+01 -0.160117D+00 -0.295456D+01
      3   0.463935D+01  0.802164D+01 -0.632794D+01  0.313981D+01  0.679930D+01
      4  -0.160915D+02 -0.200090D+02 -0.516923D+01 -0.134996D+02 -0.176483D+01
      5  -0.155102D+02 -0.712430D+01 -0.103479D+02 -0.489104D+01 -0.368620D+01
      6  -0.200909D+01 -0.838764D+01 -0.596739D+01 -0.409931D+00 -0.442611D+00
                36            37            38            39            40 
      1  -0.276902D+01 -0.112105D+02 -0.135498D+02  0.411396D+01 -0.220372D+02
      2   0.224974D+00  0.812695D+01  0.636701D+01  0.557676D+00  0.119111D+02
      3   0.254405D+01  0.308351D+01  0.718275D+01 -0.467164D+01  0.101261D+02
      4  -0.330705D+01 -0.170268D+02  0.755505D+01  0.490613D+01  0.991532D+01
      5   0.280347D+01  0.496180D+01  0.529733D+01  0.481309D+01  0.112480D+02
      6  -0.695624D+01  0.455076D+01 -0.353670D+00 -0.321316D+01 -0.118221D+01
                41            42            43            44            45 
      1  -0.278722D+01  0.376708D+01  0.252474D+01  0.137294D+01 -0.357101D+01
      2   0.703807D+01 -0.430349D+01 -0.803959D+00 -0.782273D+00 -0.729018D+01
      3  -0.425084D+01  0.536409D+00 -0.172078D+01 -0.590665D+00  0.108612D+02
      4  -0.144029D+02 -0.470325D+01  0.712191D+01 -0.488000D+01 -0.663135D+01
      5  -0.286861D+01 -0.788302D+01  0.899176D+01 -0.625013D+01 -0.142951D+02
      6   0.387196D+01  0.618235D+01 -0.327134D+01  0.558233D+01  0.332530D+01
                46            47            48            49            50 
      1   0.117199D+02  0.809646D+01 -0.103724D+02  0.712720D+01 -0.311563D+01
      2  -0.145725D+01 -0.173973D+00  0.371355D+01 -0.116744D+00  0.933483D+01
      3  -0.102627D+02 -0.792249D+01  0.665882D+01 -0.701046D+01 -0.621919D+01
      4   0.641563D+01 -0.145916D+02  0.816213D+01 -0.156838D+02 -0.678741D+00
      5  -0.439905D+01  0.104230D+02 -0.124532D+02  0.951348D+01 -0.187865D+02
      6   0.160785D+02 -0.104724D+02 -0.117331D+01 -0.117704D+02 -0.330715D+01
                51            52            53            54            55 
      1   0.130764D+01 -0.933578D+01  0.488726D-02 -0.770062D+01  0.115745D+02
      2   0.383982D+01  0.261857D+01  0.396086D+01 -0.547542D+01 -0.106829D+02
      3  -0.514745D+01  0.671721D+01 -0.396575D+01  0.131760D+02 -0.891582D+00
      4  -0.119377D+02  0.639929D+01 -0.862325D+01 -0.148717D+01  0.545292D+01
      5  -0.583198D+00 -0.114955D+02 -0.237205D+01  0.100614D+02 -0.211197D+01
      6  -0.140969D+02 -0.708205D+00 -0.101280D+02 -0.288284D+01  0.424791D+01
                56            57            58            59            60 
      1  -0.105346D+02  0.722913D+00 -0.762772D+01 -0.107898D+02 -0.334833D+01
      2   0.175269D+02 -0.299243D+01  0.140009D+02  0.189332D+02  0.555044D+01
      3  -0.699236D+01  0.226952D+01 -0.637318D+01 -0.814340D+01 -0.220211D+01
      4  -0.329577D+01  0.308584D+01  0.328351D+01  0.132152D+02 -0.321269D+01
      5   0.200347D+01  0.269376D+01  0.590886D+00 -0.263990D+01  0.127111D+01
      6  -0.559104D+01  0.902400D+01 -0.493322D+01  0.492138D+01  0.152591D+01
                61            62            63            64            65 
      1   0.281275D+01 -0.115496D+01  0.186080D+01  0.174010D+02  0.657435D+01
      2  -0.330501D+01  0.590673D+01 -0.467450D+01 -0.650046D+01  0.115281D+01
      3   0.492261D+00 -0.475178D+01  0.281370D+01 -0.109005D+02 -0.772716D+01
      4   0.384852D+01 -0.277147D+01  0.796958D+01  0.177947D+02  0.198626D+02
      5   0.341636D+01  0.273400D+01 -0.125518D+01  0.129072D+02  0.839964D+01
      6   0.924195D+01 -0.144597D+01 -0.121258D+02  0.549826D+01  0.400029D+01
                66            67            68            69            70 
      1   0.389153D+01  0.978449D+01 -0.133252D+02 -0.495216D+01  0.600588D+01
      2  -0.347998D+01  0.265488D-01  0.298124D+02  0.173043D+01 -0.353984D+01
      3  -0.411553D+00 -0.981104D+01 -0.164872D+02  0.322173D+01 -0.246604D+01
      4   0.754374D+01  0.259412D+02  0.393153D+02  0.108037D+02  0.844237D+01
      5   0.147599D+02  0.104476D+02  0.135727D+02  0.149619D+02  0.150104D+02
      6   0.540385D+01  0.611637D+01  0.139501D+02  0.148216D+02  0.594142D+01
                71            72            73            74            75 
      1  -0.307445D+01 -0.527733D+01  0.138307D+01 -0.773295D-01 -0.303871D+00
      2   0.219925D+01 -0.305681D+01 -0.497772D+01  0.310083D+00  0.354643D+00
      3   0.875195D+00  0.833413D+01  0.359465D+01 -0.232754D+00 -0.507724D-01
      4   0.847046D+01  0.120659D+02 -0.629067D+00  0.120032D+01 -0.100639D+01
      5   0.127919D+02  0.168161D+02 -0.121279D+01 -0.370845D+00  0.584273D+01
      6   0.135090D+02  0.110268D+02 -0.111474D+01  0.144738D+00  0.229895D+00
                76            77            78            79            80 
      1   0.713808D+00 -0.393282D+01  0.469641D+00  0.119690D+01  0.270807D+01
      2   0.565395D+00  0.479927D+00 -0.135498D+01  0.592644D+00 -0.119068D+01
      3  -0.127920D+01  0.345290D+01  0.885340D+00 -0.178955D+01 -0.151739D+01
      4   0.265058D+01 -0.707799D-01 -0.158929D+00 -0.887263D-01  0.568377D+00
      5   0.155090D+00 -0.556081D+00 -0.188615D+00  0.534784D+01  0.502785D+00
      6   0.164412D+00 -0.121235D+01  0.668605D+01  0.200909D+00  0.521638D+01
                81            82            83            84            85 
      1  -0.196254D+02 -0.985576D+00 -0.297120D+01 -0.247668D+01 -0.413648D+01
      2  -0.165495D+02  0.395261D+01  0.348079D+01  0.206445D+01  0.419982D+01
      3   0.361749D+02 -0.296704D+01 -0.509590D+00  0.412225D+00 -0.633387D-01
      4  -0.259543D+00  0.155201D-01  0.335929D+01  0.112178D+01  0.238052D+01
      5  -0.449505D+00 -0.166152D+01  0.762922D+00  0.110226D+01  0.103061D+01
      6  -0.695653D+01  0.216237D+01  0.113260D+01  0.808425D+00  0.866502D+00
                86            87            88            89            90 
      1  -0.177133D+02 -0.293168D+01 -0.365359D+01 -0.407600D+01 -0.516630D+01
      2   0.285533D+02  0.579933D+01  0.225076D+01  0.460989D+01  0.350103D+01
      3  -0.108399D+02 -0.286766D+01  0.140283D+01 -0.533894D+00  0.166527D+01
      4  -0.111864D+02 -0.293593D+01  0.533935D+00 -0.293523D+01 -0.239753D+01
      5  -0.300746D+01 -0.373519D+01  0.209667D+01 -0.277993D+01 -0.680569D+00
      6   0.894426D+01  0.666127D+01  0.122924D+01  0.823329D+01  0.479892D+01
                91            92            93            94            95 
      1   0.428978D+02  0.546551D+01 -0.108307D+02  0.168925D+02  0.582831D+01
      2  -0.244478D+02 -0.347677D+01  0.741932D+01 -0.942901D+01 -0.269257D+01
      3  -0.184500D+02 -0.198874D+01  0.341142D+01 -0.746346D+01 -0.313574D+01
      4   0.474537D+01  0.588237D+01 -0.120706D+01  0.875796D+01  0.413230D+01
      5  -0.163502D+02 -0.164991D+01  0.966622D+01 -0.753514D+01 -0.343287D+01
      6  -0.267183D+01 -0.102749D+01  0.103547D+01 -0.320591D+01 -0.180629D+01
                96            97            98            99           100 
      1  -0.480744D+01 -0.500207D+01 -0.376235D+00  0.504788D+01 -0.256088D+01
      2   0.316276D+01  0.428340D+01  0.543525D+00 -0.456260D+01  0.811063D+01
      3   0.164468D+01  0.718674D+00 -0.167290D+00 -0.485277D+00 -0.554975D+01
      4  -0.297113D+01 -0.823222D+00 -0.168525D+01  0.763245D+00 -0.875630D+01
      5   0.447471D+01  0.908004D+01  0.119129D+01 -0.626477D+01  0.298786D+01
      6   0.189743D+01  0.786114D+00  0.112788D+01 -0.823164D+00 -0.591850D+01
               101           102           103           104           105 
      1   0.784527D+01 -0.234667D+01  0.624197D+01 -0.133701D+02  0.409796D+01
      2  -0.152878D+02  0.382495D+01 -0.115888D+02  0.242617D+02 -0.682587D+01
      3   0.744251D+01 -0.147827D+01  0.534678D+01 -0.108917D+02  0.272791D+01
      4   0.127954D+02 -0.489755D+01  0.106151D+02 -0.119379D+02  0.395570D+01
      5  -0.296459D+01  0.299415D+01 -0.150958D+01  0.257919D+01 -0.140549D+01
      6   0.754665D+01 -0.597883D+01  0.561758D+01 -0.101599D+02  0.720910D+01
               106           107           108           109           110 
      1  -0.355516D+01  0.623694D+01 -0.527791D+01 -0.148272D+01  0.160214D+01
      2   0.459380D+01 -0.850453D+01  0.483656D+01  0.187541D+01 -0.199273D+01
      3  -0.103864D+01  0.226759D+01  0.441354D+00 -0.392690D+00  0.390593D+00
      4  -0.554670D+01  0.551240D+01 -0.489635D+01  0.444004D+00  0.309801D+01
      5   0.301119D+01 -0.243652D+01  0.248863D+01 -0.124501D+01  0.517339D-01
      6  -0.626907D+01  0.102096D+02 -0.740393D+01  0.768499D+00 -0.212214D+01
               111           112           113           114           115 
      1   0.154640D+01  0.103250D+01 -0.329512D+01 -0.260963D+01  0.929337D+00
      2  -0.937323D+00 -0.111160D+01  0.445723D+01  0.309310D+01 -0.116524D+01
      3  -0.609078D+00  0.790971D-01 -0.116210D+01 -0.483467D+00  0.235906D+00
      4   0.891433D+00  0.290230D+01 -0.899073D+00 -0.100259D+01  0.306948D+01
      5   0.168819D+01  0.969447D-01 -0.272077D+00 -0.296377D+00  0.144123D+01
      6  -0.322221D+01 -0.134724D+01  0.340454D+01  0.611774D+01 -0.314372D+01
               116           117           118           119           120 
      1  -0.568569D+01 -0.760739D+01  0.225441D+01  0.212763D+01  0.200376D+01
      2   0.727667D+01  0.158513D+01 -0.342000D+01 -0.278896D+01 -0.370430D+01
      3  -0.159098D+01  0.602227D+01  0.116558D+01  0.661325D+00  0.170054D+01
      4  -0.161276D+01 -0.284515D+01  0.350231D+01  0.659928D+01  0.153059D+01
      5  -0.779280D+00 -0.965527D+00  0.642358D+01  0.415461D+01  0.807944D+01
      6   0.766737D+01  0.196548D+02  0.213577D+01  0.519625D+01  0.233437D+01
               121           122           123           124           125 
      1   0.338578D+01 -0.309538D+01 -0.509211D+01  0.109081D+01 -0.322274D+01
      2  -0.407301D+01 -0.118826D+01 -0.680845D+01 -0.273511D+01 -0.433902D+01
      3   0.687227D+00  0.428364D+01  0.119006D+02  0.164430D+01  0.756176D+01
      4   0.639035D+01  0.126358D+02  0.706585D+01  0.937347D+00  0.482372D+01
      5   0.669753D+01  0.106325D+02  0.105566D+02  0.625584D+01  0.623507D+01
      6   0.552590D+01  0.176168D+02  0.107786D+02  0.236866D+01  0.979483D+01
               126           127           128           129           130 
      1  -0.459817D+01 -0.952032D+01 -0.572832D+01  0.123217D+02 -0.491991D+01
      2  -0.561803D+01  0.751472D+00  0.266920D+01  0.206544D+01  0.277909D+01
      3   0.102162D+02  0.876884D+01  0.305912D+01 -0.143871D+02  0.214082D+01
      4   0.472641D+01  0.601850D+01  0.374739D+01 -0.325341D+01  0.444092D+01
      5   0.787795D+01 -0.137556D+02 -0.395747D+01  0.617126D+01 -0.421317D+01
      6   0.767850D+01 -0.752760D+01 -0.568499D+01  0.705437D+01 -0.394505D+01
               131           132           133           134           135 
      1  -0.510596D+01  0.453688D+01  0.897934D+01  0.392331D+01 -0.110553D+02
      2   0.247230D+01 -0.129271D+01  0.143770D+01 -0.747235D+00 -0.338379D+01
      3   0.263366D+01 -0.324417D+01 -0.104170D+02 -0.317608D+01  0.144391D+02
      4   0.139767D+01  0.589580D+00 -0.247718D+01  0.101886D-01  0.220769D+01
      5  -0.144376D+00  0.992222D+00  0.745415D+01  0.150780D+01 -0.504939D+01
      6  -0.488779D+01  0.733134D+01  0.484301D+01  0.618737D+01 -0.622612D+01
               136           137           138           139           140 
      1   0.120493D+02 -0.485211D+01  0.242791D+01 -0.491368D+01 -0.217419D+01
      2  -0.702244D+01  0.157765D+00 -0.551245D+01 -0.324347D+00  0.638281D+01
      3  -0.502690D+01  0.469435D+01  0.308454D+01  0.523802D+01 -0.420862D+01
      4  -0.166076D+02  0.148054D+02 -0.855226D+01  0.156296D+02 -0.173564D+02
      5   0.192453D+02 -0.120283D+02  0.158897D+02 -0.126350D+02  0.135990D+02
      6  -0.115672D+02  0.110973D+02 -0.835764D+01  0.110993D+02 -0.158390D+02
               141           142           143           144           145 
      1   0.321088D+01  0.128707D+01  0.219956D+01 -0.156805D+01  0.104605D+02
      2   0.298315D+00 -0.404369D+01  0.109556D+01 -0.390669D+01 -0.209274D+01
      3  -0.350920D+01  0.275662D+01 -0.329512D+01  0.547474D+01 -0.836776D+01
      4   0.973980D+01 -0.542345D+01  0.618805D+01 -0.738198D+01  0.851752D+01
      5  -0.108013D+02  0.121070D+02 -0.795621D+01  0.111211D+02  0.217240D+01
      6   0.133345D+02 -0.650106D+01  0.998247D+01 -0.920678D+01 -0.741970D+00
               146           147           148           149           150 
      1   0.751759D+01  0.312725D+01  0.146499D+02  0.853836D+01  0.566906D-01
      2  -0.191464D+01 -0.105225D+01 -0.506626D+01  0.572326D+01  0.174523D+01
      3  -0.560295D+01 -0.207500D+01 -0.958368D+01 -0.142616D+02 -0.180192D+01
      4   0.134244D+02  0.122361D+01  0.171055D+02  0.326953D+02  0.352663D+01
      5   0.358680D+00  0.215451D+01 -0.170791D+01  0.323949D+01  0.797653D+01
      6  -0.157272D+01  0.336966D+00 -0.154435D+01 -0.459917D+01  0.218548D+01
               151           152           153           154           155 
      1   0.758717D+01  0.159566D+01  0.140732D+00  0.503728D+02 -0.182530D+02
      2  -0.291068D+01  0.625704D+00 -0.127364D+01 -0.208909D+02  0.585869D+01
      3  -0.467649D+01 -0.222137D+01  0.113291D+01 -0.294819D+02  0.123943D+02
      4   0.231133D+01  0.630440D+01  0.478357D+01 -0.249213D+02  0.182973D+02
      5   0.360462D+01  0.529530D+01 -0.352571D-01  0.246817D+01 -0.724909D+00
      6   0.106867D+01  0.237322D+01  0.106545D+01  0.184513D+01 -0.181466D+01
               156           157           158           159           160 
      1   0.696769D+01 -0.258446D+02  0.142439D+02 -0.199618D+01  0.151614D+02
      2  -0.237426D+01  0.848555D+01 -0.814116D-02 -0.516272D+00 -0.607613D+01
      3  -0.459343D+01  0.173591D+02 -0.142357D+02  0.251245D+01 -0.908528D+01
      4  -0.294985D+01  0.241707D+02 -0.198599D+02  0.444031D+01 -0.653117D+01
      5   0.785199D+01  0.333085D+00  0.253075D+01 -0.706601D+01  0.862052D+01
      6  -0.128960D+01 -0.194844D+01  0.115610D+01  0.224232D+01 -0.174424D+01
               161           162           163           164           165 
      1  -0.372847D+01  0.516961D+01  0.143142D+01 -0.191128D+01 -0.557054D+01
      2   0.495629D+00 -0.387676D+01 -0.352830D+01  0.911588D+00  0.362935D+01
      3   0.323284D+01 -0.129285D+01  0.209688D+01  0.999691D+00  0.194119D+01
      4   0.667683D+01 -0.566341D+01 -0.180525D+01  0.273990D+01  0.294880D+00
      5  -0.503040D+01  0.248493D+01 -0.504126D+01  0.266011D+00  0.791736D+01
      6   0.173908D+01 -0.881589D+00  0.851323D+00 -0.134015D+00  0.208360D+00
               166           167           168           169           170 
      1  -0.276243D+01  0.298171D+00 -0.103945D+01 -0.770091D+01 -0.818441D+00
      2   0.121021D+01 -0.127517D+01  0.285071D+00  0.877659D+01  0.288539D+00
      3   0.155222D+01  0.976999D+00  0.754381D+00 -0.107568D+01  0.529902D+00
      4   0.510383D+01  0.685540D+00 -0.491204D+01  0.486635D+00 -0.534395D+01
      5   0.753067D+00 -0.453617D+01 -0.155422D+01  0.165995D+02 -0.888094D+00
      6  -0.151442D+01  0.100109D+01  0.680338D+01 -0.144464D+01  0.632627D+01
               171 
      1  -0.120774D+02
      2  -0.210439D+02
      3   0.331214D+02
      4  -0.189084D+01
      5  -0.477166D+02
      6   0.559531D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643014D+00      0.163438D+01      0.545170D+01
   x         -0.215179D+00     -0.546931D+00     -0.182437D+01
   y          0.445633D+00      0.113269D+01      0.377824D+01
   z          0.410580D+00      0.104359D+01      0.348104D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.744131D+02      0.110269D+02      0.122691D+02
   aniso      0.127471D+02      0.188892D+01      0.210171D+01
   xx         0.821626D+02      0.121752D+02      0.135468D+02
   yx         0.197499D+00      0.292664D-01      0.325632D-01
   yy         0.714152D+02      0.105826D+02      0.117748D+02
   zx        -0.230729D+01     -0.341906D+00     -0.380421D+00
   zy         0.172901D+01      0.256213D+00      0.285076D+00
   zz         0.696614D+02      0.103228D+02      0.114856D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.786888D+02      0.116605D+02      0.129740D+02
   aniso      0.129260D+02      0.191544D+01      0.213122D+01
   xx         0.865141D+02      0.128201D+02      0.142642D+02
   yx         0.859854D+00      0.127417D+00      0.141771D+00
   yy         0.760714D+02      0.112726D+02      0.125425D+02
   zx        -0.197771D+01     -0.293066D+00     -0.326080D+00
   zy         0.185474D+01      0.274844D+00      0.305805D+00
   zz         0.734811D+02      0.108888D+02      0.121154D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.87718730          1.31020045         -2.52720801
     6          1.77602786         -0.36299512         -1.47478591
     6         -0.28594311          1.26872684         -0.18610081
     6         -2.63279675         -0.36241919          0.21775983
     8         -3.15548669         -0.81117053          2.68345905
     6          2.83061932         -2.37902118          0.30748124
     7          0.68495975          2.58499014          2.01968707
     8         -3.90793615         -1.21219701         -1.46379190
     1         -0.86963823          2.68901175         -1.56671539
     1          0.83829038         -1.31552143         -3.04855986
     1         -4.64046715         -1.88650245          2.71446645
     1         -0.56638850          3.89192806          2.63872687
     1          0.97246728          1.36981011          3.46875961
     1          3.85124092         -1.52189281          1.88337496
     1          1.34547787         -3.58677578          1.07845712
     1          4.16130300         -3.59157246         -0.69699099
     1          4.78292724          2.37875489         -1.01680800
     1          5.30984503          0.16172798         -3.46738994
     1          3.13704265          2.65609256         -3.90534545

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643014D+00      0.163438D+01      0.545170D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.643014D+00      0.163438D+01      0.545170D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.744131D+02      0.110269D+02      0.122691D+02
   aniso      0.127471D+02      0.188892D+01      0.210171D+01
   xx         0.793245D+02      0.117547D+02      0.130789D+02
   yx         0.357787D+01      0.530185D+00      0.589911D+00
   yy         0.695863D+02      0.103116D+02      0.114732D+02
   zx        -0.416425D+01     -0.617078D+00     -0.686591D+00
   zy        -0.553972D+00     -0.820901D-01     -0.913376D-01
   zz         0.743284D+02      0.110143D+02      0.122551D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.786888D+02      0.116605D+02      0.129740D+02
   aniso      0.129260D+02      0.191544D+01      0.213122D+01
   xx         0.840147D+02      0.124497D+02      0.138522D+02
   yx         0.400137D+01      0.592942D+00      0.659736D+00
   yy         0.737793D+02      0.109330D+02      0.121646D+02
   zx        -0.365203D+01     -0.541175D+00     -0.602138D+00
   zy        -0.158511D+00     -0.234889D-01     -0.261349D-01
   zz         0.782726D+02      0.115988D+02      0.129054D+02

 ----------------------------------------------------------------------
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 LIFE IS SO UNCERTAIN - EAT DESSERT FIRST.
 Job cpu time:       0 days  2 hours  2 minutes 49.5 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 25.1 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:55:04 2021.
